4NR
Summary
| Name: | 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C12 H10 F N5 |
| Formal charge: | 0 |
| Formula weight: | 243.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 5-(4-fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3ccc(C1=CN=C2C1=C(N=C(N)N2)N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | SVEXZYXFUHRTHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]c2ncc(c3ccc(F)cc3)c2c(N)n1 |
| SMILES | CACTVS | 3.385 | Nc1[nH]c2ncc(c3ccc(F)cc3)c2c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F |
