tert-butyl 4-[[methyl-[6-[(4-pyrazol-1-ylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[methyl-[6-[(4-pyrazol-1-ylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-[4-(1-pyrazolyl)anilino]-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N7O2 MolecularWeight: 463.57522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C25H33N7O2/c1-25(2,3)34-24(33)31-14-10-19(11-15-31)17-30(4)23-16-22(26-18-27-23)29-20-6-8-21(9-7-20)32-13-5-12-28-32/h5-9,12-13,16,18-19H,10-11,14-15,17H2,1-4H3,(H,26,27,29)