5-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(4-chlorophenyl)methyl]-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(4-chlorobenzyl)-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2OS/c1-11(2)8-9-22-17-19-12(3)15(16(21)20-17)10-13-4-6-14(18)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,19,20,21)