(1E)-1-(2-methylpyrimidin-5-yl)hepta-1,6-dien-3-one

Systemtic Name: (1E)-1-(2-methylpyrimidin-5-yl)hepta-1,6-dien-3-one Openeye Name: (1E)-1-(2-methylpyrimidin-5-yl)hepta-1,6-dien-3-one CAS Name: (1E)-1-(2-methyl-5-pyrimidinyl)-3-hepta-1,6-dienone IUPAC Name: (1E)-1-(2-methylpyrimidin-5-yl)hepta-1,6-dien-3-one Traditional Name: (1E)-1-(2-methylpyrimidin-5-yl)hepta-1,6-dien-3-one Formula: C12H14N2O MolecularWeight: 202.25236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O/c1-3-4-5-12(15)7-6-11-8-13-10(2)14-9-11/h3,6-9H,1,4-5H2,2H3/b7-6+