2WU
Summary
| Name: | 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C10 H10 N6 O |
| Formal charge: | 0 |
| Formula weight: | 230.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-2-(methylamino)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cc1nc(NC)nc1cc3N=C(N)N2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17) |
| InChIKey | InChI | 1.03 | MRAWGMPHZYODAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N |
