N-butyl-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H31N5O/c1-5-6-10-23-22(28)27-13-11-26(12-14-27)21-17(3)18(4)24-20(25-21)19-9-7-8-16(2)15-19/h7-9,15H,5-6,10-14H2,1-4H3,(H,23,28)