5-[(3-butylphenyl)methyl]-6-(chloromethyl)-2-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 5-[(3-butylphenyl)methyl]-6-(chloromethyl)-2-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 5-[(3-butylphenyl)methyl]-6-(chloromethyl)-2-isopropyl-1H-pyrimidin-4-one CAS Name: 5-[(3-butylphenyl)methyl]-6-(chloromethyl)-2-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 5-[(3-butylphenyl)methyl]-6-(chloromethyl)-2-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 5-(3-butylbenzyl)-6-(chloromethyl)-2-isopropyl-1H-pyrimidin-4-one Formula: C19H25ClN2O MolecularWeight: 332.8676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)CC2=C(NC(=NC2=O)C(C)C)CCl

Isomeric SMILES

CCCCC1=CC=CC(=C1)CC2=C(NC(=NC2=O)C(C)C)CCl

InChI

InChI=1S/C19H25ClN2O/c1-4-5-7-14-8-6-9-15(10-14)11-16-17(12-20)21-18(13(2)3)22-19(16)23/h6,8-10,13H,4-5,7,11-12H2,1-3H3,(H,21,22,23)