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

Systemtic Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O/c1-12(2)6-8-15-16(19-13(3)20-17(15)21)9-7-14-5-4-10-18-11-14/h4-5,7,9-12H,6,8H2,1-3H3,(H,19,20,21)/b9-7+