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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-2-3-10-7-14(21)17-15(16-10)22-8-13(20)9-4-5-11(18)12(19)6-9/h4-7,18-19H,2-3,8H2,1H3,(H,16,17,21)