A1A2P
Summary
| Name: | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine |
| Formula: | C17 H24 N6 S |
| Formal charge: | 0 |
| Formula weight: | 344.478 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}2-[(4-azanylcyclohexyl)methyl]-~{N}4-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1CCC(CC1)CNc1nc(Nc2ncc(s2)C2CC2)ccn1 |
| InChI | InChI | 1.06 | InChI=1S/C17H24N6S/c18-13-5-1-11(2-6-13)9-20-16-19-8-7-15(22-16)23-17-21-10-14(24-17)12-3-4-12/h7-8,10-13H,1-6,9,18H2,(H2,19,20,21,22,23)/t11-,13+ |
| InChIKey | InChI | 1.06 | OTRMEDHVOTWRMB-BJHJDKERSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CC[C@@H](CC1)CNc2nccc(Nc3sc(cn3)C4CC4)n2 |
| SMILES | CACTVS | 3.385 | N[CH]1CC[CH](CC1)CNc2nccc(Nc3sc(cn3)C4CC4)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1Nc2ncc(s2)C3CC3)NCC4CCC(CC4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1Nc2ncc(s2)C3CC3)NCC4CCC(CC4)N |
