PK2
Summary
| Name: | 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C19 H27 N7 O |
| Formal charge: | 0 |
| Formula weight: | 369.464 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 6-amino-4-[2-(cyclohexylmethylamino)ethyl]-2-methylamino-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4CCCCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCCC4)c2n1)N |
| SMILES | CACTVS | 3.341 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCCC4)c2n1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C19H27N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h9,11,22H,2-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27) |
| InChIKey | InChI | 1.03 | ZKRVOXSNLYAMLM-UHFFFAOYSA-N |
