A1JKM
Summary
| Name: | ~{N}-[(4-propan-2-ylphenyl)methyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| Formula: | C17 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 294.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-propan-2-ylphenyl)methyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18N4O/c1-11(2)13-5-3-12(4-6-13)9-19-17(22)15-14-7-8-18-16(14)21-10-20-15/h3-8,10-11H,9H2,1-2H3,(H,19,22)(H,18,20,21) |
| InChIKey | InChI | 1.06 | HFGJATFQAZZTMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(CNC(=O)c2ncnc3[nH]ccc23)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(CNC(=O)c2ncnc3[nH]ccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)CNC(=O)c2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)CNC(=O)c2c3cc[nH]c3ncn2 |
