3BA
Summary
| Name: | 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide |
| Formula: | C17 H22 N8 O |
| Formal charge: | 0 |
| Formula weight: | 354.41 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 7-amino-2-tert-butyl-4-[2-(1H-imidazol-4-yl)ethylamino]pyrido[5,6-e]pyrimidine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)c1cc2c(nc(nc2nc1N)C(C)(C)C)NCCc3ncnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1nc(NCCc2c[nH]cn2)c3cc(C(N)=O)c(N)nc3n1 |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1nc(NCCc2c[nH]cn2)c3cc(C(N)=O)c(N)nc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3 |
| InChI | InChI | 1.03 | InChI=1S/C17H22N8O/c1-17(2,3)16-24-14(21-5-4-9-7-20-8-22-9)11-6-10(13(19)26)12(18)23-15(11)25-16/h6-8H,4-5H2,1-3H3,(H2,19,26)(H,20,22)(H3,18,21,23,24,25) |
| InChIKey | InChI | 1.03 | XESUNWBIAADLPI-UHFFFAOYSA-N |
