IQW
Summary
| Name: | 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C13 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 239.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | 5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)ncc2c3ccc(cc3)C)N |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-7-2-4-8(5-3-7)9-6-16-12-10(9)11(14)17-13(15)18-12/h2-6H,1H3,(H5,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | OKAZKDKAGZDUKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2c[nH]c3nc(N)nc(N)c23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2c[nH]c3nc(N)nc(N)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N |
