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

Systemtic Name: 6-azanyl-2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSC2=NC(=O)C=C(N2)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSC2=NC(=O)C=C(N2)N)O)O

InChI

InChI=1S/C12H11N3O4S/c13-10-4-11(19)15-12(14-10)20-5-9(18)6-1-2-7(16)8(17)3-6/h1-4,16-17H,5H2,(H3,13,14,15,19)