Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:15 UTC |
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Update Date | 2025-03-21 18:35:01 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103599 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C11H18N6O2S |
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Molecular Mass | 298.1212 |
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SMILES | CNC(=C[N+](=O)[O-])NCCSCc1cnc(C)nc1N |
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InChI Key | KOHMTWDLVXFJLV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | diazines |
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Subclass | pyrimidines and pyrimidine derivatives |
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Direct Parent | pyrimidines and pyrimidine derivatives |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | azacyclic compoundsc-nitro compoundsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumimidolactamsecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganic hyponitrite |
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