IYH
Summary
| Name: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid |
| Formula: | C12 H11 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 257.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1nc(cnc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O2/c18-12(19)10-11(16-8-3-13-6-14-4-8)15-5-9(17-10)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19) |
| InChIKey | InChI | 1.03 | XPMIAHQITIWANE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nc(cnc1Nc2cncnc2)C3CC3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1nc(cnc1Nc2cncnc2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncn1)Nc2c(nc(cn2)C3CC3)C(=O)O |
