N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-tert-butylpiperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-20-23(19-21-11-7-5-8-12-21)25(29-24(28-20)22-13-9-6-10-14-22)31-15-17-32(18-16-31)26(33)30-27(2,3)4/h5-14H,15-19H2,1-4H3,(H,30,33)