VS8
Summary
| Name: | N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C24 H25 N5 |
| Formal charge: | 0 |
| Formula weight: | 383.489 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~4~-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c4c(c(nc1N)NC2CCCCC2)c(c(c3ccccc3)n4)c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C24H25N5/c25-24-28-22(26-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(27-23(20)29-24)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H4,25,26,27,28,29) |
| InChIKey | InChI | 1.03 | FPNOXHURARDDEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NC2CCCCC2)c3c([nH]c(c4ccccc4)c3c5ccccc5)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(NC2CCCCC2)c3c([nH]c(c4ccccc4)c3c5ccccc5)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N |
