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

Systemtic Name: N-butyl-4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-4-5-9-22-21(27)26-12-10-25(11-13-26)19-15-17(3)23-20(24-19)18-8-6-7-16(2)14-18/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,22,27)