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

Systemtic Name: 5-hexyl-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-hexyl-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-hexyl-2-methyl-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-hexyl-2-methyl-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-hexyl-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C18H23N3O MolecularWeight: 297.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=NC1=O)C)C=CC2=CN=CC=C2

Isomeric SMILES

CCCCCCC1=C(NC(=NC1=O)C)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C18H23N3O/c1-3-4-5-6-9-16-17(20-14(2)21-18(16)22)11-10-15-8-7-12-19-13-15/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,21,22)/b11-10+