tert-butyl 4-[[4-[methyl-(1-methyl-6-oxidanylidene-4-phenyl-pyridin-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[methyl-(1-methyl-6-oxidanylidene-4-phenyl-pyridin-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[methyl-(1-methyl-6-oxo-4-phenyl-3-pyridyl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-[methyl-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)amino]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[methyl-(1-methyl-6-oxo-4-phenylpyridin-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(6-keto-1-methyl-4-phenyl-3-pyridyl)-methyl-amino]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=CN(C(=O)C=C3C4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=CN(C(=O)C=C3C4=CC=CC=C4)C

InChI

InChI=1S/C27H34N6O3/c1-27(2,3)36-26(35)33-15-12-20(13-16-33)29-25-28-14-11-23(30-25)32(5)22-18-31(4)24(34)17-21(22)19-9-7-6-8-10-19/h6-11,14,17-18,20H,12-13,15-16H2,1-5H3,(H,28,29,30)