KP2
Summary
| Name: | 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)ncc2c3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | LEOTWBKRAWDNPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c([nH]cc2c3ccccc3)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c([nH]cc2c3ccccc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N |
