2-[[5,6-bis(oxidanyl)-1H-indol-3-yl]sulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[5,6-bis(oxidanyl)-1H-indol-3-yl]sulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(5,6-dihydroxy-1H-indol-3-yl)sulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(5,6-dihydroxy-1H-indol-3-yl)thio]-1H-pyrimidin-6-one IUPAC Name: 2-[(5,6-dihydroxy-1H-indol-3-yl)sulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(5,6-dihydroxy-1H-indol-3-yl)thio]-1H-pyrimidin-6-one Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SC2=CNC3=CC(=C(C=C32)O)O

Isomeric SMILES

C1=CN=C(NC1=O)SC2=CNC3=CC(=C(C=C32)O)O

InChI

InChI=1S/C12H9N3O3S/c16-8-3-6-7(4-9(8)17)14-5-10(6)19-12-13-2-1-11(18)15-12/h1-5,14,16-17H,(H,13,15,18)