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

Systemtic Name: N-butyl-4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]-N-butyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]-N-butylpiperazine-1-carboxamide Traditional Name: 4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]-N-butyl-piperazine-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H35N5O/c1-4-5-15-29-28(34)33-18-16-32(17-19-33)27-25(20-23-9-7-6-8-10-23)22(3)30-26(31-27)24-13-11-21(2)12-14-24/h6-14H,4-5,15-20H2,1-3H3,(H,29,34)