2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)