TW2
Summary
| Name: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Synonyms: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C15 H13 F N6 |
| Formal charge: | 0 |
| Formula weight: | 296.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21) |
| InChIKey | InChI | 1.03 | BJAJDULYKUREBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 |
| SMILES | CACTVS | 3.385 | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N |
