| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:30 UTC |
|---|
| Update Date | 2025-03-25 00:55:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214091 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H23N3O3S |
|---|
| Molecular Mass | 325.146 |
|---|
| SMILES | CCCN(CCC)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)CN2 |
|---|
| InChI Key | FFXDPEUIWRVQMJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinazolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesaminosulfonyl compoundsazacyclic compoundsbenzenoidscarboxylic acids and derivativesdiazanaphthaleneshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminestertiary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | organosulfonic acid or derivativeslactamamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleaminosulfonyl compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
|---|
