| PDB CCD ID: | U0Q |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H21 N9 |
| InChI: | InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1 |
| InChIKey: | QQIQPTYOVZSTDB-SNVBAGLBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N | | OpenEye OEToolkits 2.0.7 | CC1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N | | CACTVS 3.385 | C[CH]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N |
|
| Name: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;
4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| ChEMBL: | CHEMBL5075978 |
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