tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-pyridin-3-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-pyridin-3-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(6-mesyl-2-methyl-3-pyridyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=NC=NC3=C2C=CN3C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30N6O4S/c1-15-18(6-7-19(26-15)34(5,31)32)27-20-17-10-13-29(21(17)25-14-24-20)16-8-11-28(12-9-16)22(30)33-23(2,3)4/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H,24,25,27)