FKB
Summary
| Name: | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide |
| Formula: | C14 H19 N9 O |
| Formal charge: | 0 |
| Formula weight: | 329.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N9O/c15-7-8(11(16)24)6-10-19-14-21-13(20-12(17)23(14)22-10)18-9-4-2-1-3-5-9/h8-9H,1-6H2,(H2,16,24)(H3,17,18,19,20,21,22)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | PQPBZNWOHODPRV-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H](Cc1nn2c(N)nc(NC3CCCCC3)nc2n1)C#N |
| SMILES | CACTVS | 3.385 | NC(=O)[CH](Cc1nn2c(N)nc(NC3CCCCC3)nc2n1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)CC(C#N)C(=O)N)N |
