propan-2-yl 4-[4-[(4-cyano-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-[(4-cyano-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-(4-cyano-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-cyano-2-methylanilino)-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-cyano-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyano-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)NC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)NC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OC(C)C

InChI

InChI=1S/C23H26N6O2/c1-15(2)31-23(30)28-9-6-18(7-10-28)29-11-8-19-21(25-14-26-22(19)29)27-20-5-4-17(13-24)12-16(20)3/h4-5,8,11-12,14-15,18H,6-7,9-10H2,1-3H3,(H,25,26,27)