JNC
Summary
| Name: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| Formula: | C13 H11 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 308.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18) |
| InChIKey | InChI | 1.06 | ULSNLRVQBCXMSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)Cc3cccc(c3)Cl)nc(n1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)Cc3cccc(c3)Cl)nc(n1)Cl |
