YND
Summary
| Name: | N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide |
| Formula: | C14 H12 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 317.73 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chloranylpyridin-4-yl)-2-(3-methyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-7-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1ccc2c1N=CN(C)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C14H12ClN5O2/c1-19-8-17-13-9(14(19)22)3-5-20(13)7-12(21)18-11-2-4-16-6-10(11)15/h2-6,8H,7H2,1H3,(H,16,18,21) |
| InChIKey | InChI | 1.03 | KGIZMIOMJSGVEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O |
| SMILES | CACTVS | 3.385 | CN1C=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O |
