6-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-(m-tolyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(m-tolyl)-1H-pyrimidin-4-one Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=O)C(=C(N2)C)CCC(C)C

InChI

InChI=1S/C17H22N2O/c1-11(2)8-9-15-13(4)18-16(19-17(15)20)14-7-5-6-12(3)10-14/h5-7,10-11H,8-9H2,1-4H3,(H,18,19,20)