2-butylsulfanyl-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-[(2-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-5-(2-chlorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H19ClN2OS/c1-3-4-9-21-16-18-11(2)13(15(20)19-16)10-12-7-5-6-8-14(12)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,19,20)