2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C17H20N2O2S/c1-5-14-12(4)18-17(19-16(14)21)22-9-15(20)13-7-6-10(2)11(3)8-13/h6-8H,5,9H2,1-4H3,(H,18,19,21)