TWH
Summary
| Name: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Synonyms: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C13 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 256.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N6/c1-8-4-3-5-19(8)13-9(6-14)10-11(15)16-7-17-12(10)18(13)2/h7-8H,3-5H2,1-2H3,(H2,15,16,17)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | DCOXMFDDEKIJAR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCN1c2n(C)c3ncnc(N)c3c2C#N |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN1c2c(c3c(ncnc3n2C)N)C#N |
