2-[(4-butylphenyl)methyl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-butylphenyl)methyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[(4-butylphenyl)methyl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-butylphenyl)methyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-butylphenyl)methyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-(4-butylbenzyl)-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O/c1-2-3-4-15-5-7-16(8-6-15)13-19-22-18(14-20(24)23-19)17-9-11-21-12-10-17/h5-12,14H,2-4,13H2,1H3,(H,22,23,24)