AEK
Summary
| Name: | 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C18 H24 N6 O |
| Formal charge: | 0 |
| Formula weight: | 340.423 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.7.2 | 4-[2-(cyclopentylmethylamino)ethyl]-2-(methylamino)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cc1nc(NC)nc1c(c3N=CN2)CCNCC4CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H24N6O/c1-19-18-23-14-8-13-15(21-10-22-17(13)25)12(16(14)24-18)6-7-20-9-11-4-2-3-5-11/h8,10-11,20H,2-7,9H2,1H3,(H2,19,23,24)(H,21,22,25) |
| InChIKey | InChI | 1.03 | IEHXPXUWCFKZTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNc1[nH]c2c(CCNCC3CCCC3)c4N=CNC(=O)c4cc2n1 |
| SMILES | CACTVS | 3.370 | CNc1[nH]c2c(CCNCC3CCCC3)c4N=CNC(=O)c4cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O |
