G5C
Summary
| Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C19 H19 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 377.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25) |
| InChIKey | InChI | 1.03 | MOBTUTZGYGGLCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)nc4[nH]cc(C#N)c14 |
| SMILES | CACTVS | 3.385 | CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)nc4[nH]cc(C#N)c14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N |
