7RR
Summary
| Name: | 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide |
| Formula: | C13 H11 Cl N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 318.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-~{N}-(3-chloranylpyridin-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(N)=Nc21 |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN6O2/c14-8-5-16-3-1-9(8)17-10(21)6-20-4-2-7-11(20)18-13(15)19-12(7)22/h1-5H,6H2,(H,16,17,21)(H3,15,18,19,22) |
| InChIKey | InChI | 1.03 | MOOOFDHGGWGWDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(CC(=O)Nc3ccncc3Cl)ccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N)Cl |
