SAQ
Summary
| Name: | 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Synonyms: | 2-[(2-Thienylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C14 H11 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 297.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 2-(thiophen-2-ylmethylamino)-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2cc3nc(nc3cc2N=CN1)NCc4sccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NC=Nc2cc3nc(NCc4sccc4)[nH]c3cc12 |
| SMILES | CACTVS | 3.341 | O=C1NC=Nc2cc3nc(NCc4sccc4)[nH]c3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O |
| InChI | InChI | 1.03 | InChI=1S/C14H11N5OS/c20-13-9-4-11-12(5-10(9)16-7-17-13)19-14(18-11)15-6-8-2-1-3-21-8/h1-5,7H,6H2,(H2,15,18,19)(H,16,17,20) |
| InChIKey | InChI | 1.03 | FVWYYSMTACIDCC-UHFFFAOYSA-N |
