| PDB CCD ID: | TWH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H16 N6 |
| InChI: | 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: | DCOXMFDDEKIJAR-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N | | CACTVS 3.385 | C[C@@H]1CCCN1c2n(C)c3ncnc(N)c3c2C#N | | OpenEye OEToolkits 2.0.7 | CC1CCCN1c2c(c3c(ncnc3n2C)N)C#N | | CACTVS 3.385 | C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N |
|
| Name: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;
4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| ChEMBL: | CHEMBL5086513 |
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