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

Systemtic Name: tert-butyl 4-[4-methyl-6-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(1-benzyl-4-piperidyl)amino]-6-methyl-pyrimidin-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-methyl-6-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-pyrimidinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-benzylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(1-benzyl-4-piperidyl)amino]-6-methyl-pyrimidin-2-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)N2CCCN(CC2)C(=O)OC(C)(C)C)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCN(CC2)C(=O)OC(C)(C)C)NC3CCN(CC3)CC4=CC=CC=C4

InChI

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