tert-butyl 4-[6-methyl-2-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methyl-2-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[2-[(1-benzyl-4-piperidyl)amino]-6-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[6-methyl-2-[[1-(phenylmethyl)-4-piperidinyl]amino]-4-pyrimidinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(1-benzylpiperidin-4-yl)amino]-6-methylpyrimidin-4-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(1-benzyl-4-piperidyl)amino]-6-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C27H40N6O2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2CCN(CC2)CC3=CC=CC=C3)N4CCCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2CCN(CC2)CC3=CC=CC=C3)N4CCCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N6O2/c1-21-19-24(32-13-8-14-33(18-17-32)26(34)35-27(2,3)4)30-25(28-21)29-23-11-15-31(16-12-23)20-22-9-6-5-7-10-22/h5-7,9-10,19,23H,8,11-18,20H2,1-4H3,(H,28,29,30)