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

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[(3-methylphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-(3-methylanilino)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(3-methylanilino)-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(3-methylanilino)-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(m-toluidino)-1H-pyrimidin-4-one Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=O)C(=C(N2)C)CCC(C)C

InChI

InChI=1S/C17H23N3O/c1-11(2)8-9-15-13(4)18-17(20-16(15)21)19-14-7-5-6-12(3)10-14/h5-7,10-11H,8-9H2,1-4H3,(H2,18,19,20,21)