1-[3,4-bis(oxidanyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyrimidylthio)ethanone Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H10N2O3S/c15-9-3-2-8(6-10(9)16)11(17)7-18-12-13-4-1-5-14-12/h1-6,15-16H,7H2