7RW
Summary
| Name: | N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide |
| Formula: | C17 H17 Cl N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 372.809 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chloropyridin-4-yl)-2-{2-[(cyclopropylmethyl)amino]-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chloranylpyridin-4-yl)-2-[2-(cyclopropylmethylamino)-4-oxidanyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1ccc2c1nc(nc2O)NCC1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C17H17ClN6O2/c18-12-8-19-5-3-13(12)21-14(25)9-24-6-4-11-15(24)22-17(23-16(11)26)20-7-10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,19,21,25)(H2,20,22,23,26) |
| InChIKey | InChI | 1.03 | ATVZAOZFDGEXSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(NCC2CC2)nc3n(CC(=O)Nc4ccncc4Cl)ccc13 |
| SMILES | CACTVS | 3.385 | Oc1nc(NCC2CC2)nc3n(CC(=O)Nc4ccncc4Cl)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2nc(nc3O)NCC4CC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2nc(nc3O)NCC4CC4)Cl |
