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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C(=C(N2)C)CCC(C)C

InChI

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