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

Systemtic Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-methyl-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-methyl-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C18H22N2O MolecularWeight: 282.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=CC=C2)CCC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=CC=C2)CCC(C)C

InChI

InChI=1S/C18H22N2O/c1-13(2)9-11-16-17(19-14(3)20-18(16)21)12-10-15-7-5-4-6-8-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,20,21)/b12-10+