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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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