2MQ
Summary
| Name: | 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C12 H15 N7 O |
| Formal charge: | 0 |
| Formula weight: | 273.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-4-(2-aminoethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 6-amino-4-(2-aminoethyl)-2-methylamino-3,7-dihydropyrimido[5,6-f]benzimidazol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1 |
| SMILES | CACTVS | 3.341 | CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20) |
| InChIKey | InChI | 1.03 | GERXMHCMTFTAGY-UHFFFAOYSA-N |
