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

Systemtic Name: 2-methyl-5-octyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-octyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-octyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-octyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-octyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)C)C=CC2=CC=NC=C2

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)C)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C20H27N3O/c1-3-4-5-6-7-8-9-18-19(22-16(2)23-20(18)24)11-10-17-12-14-21-15-13-17/h10-15H,3-9H2,1-2H3,(H,22,23,24)/b11-10+