2-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2-chlorophenyl)-2-oxoethyl]thio]-5-methyl-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-5-methyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]-5-methyl-6-propyl-1H-pyrimidin-4-one Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=CC=C2Cl)C

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H17ClN2O2S/c1-3-6-13-10(2)15(21)19-16(18-13)22-9-14(20)11-7-4-5-8-12(11)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,21)