5,6-bis(oxidanyl)-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5,6-bis(oxidanyl)-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Openeye Name: 5,6-dihydroxy-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid CAS Name: 5,6-dihydroxy-4-[(6-oxo-1H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 5,6-dihydroxy-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Traditional Name: 5,6-dihydroxy-4-[(6-keto-1H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SC2=C3C=C(NC3=CC(=C2O)O)C(=O)O

Isomeric SMILES

C1=CN=C(NC1=O)SC2=C3C=C(NC3=CC(=C2O)O)C(=O)O

InChI

InChI=1S/C13H9N3O5S/c17-8-4-6-5(3-7(15-6)12(20)21)11(10(8)19)22-13-14-2-1-9(18)16-13/h1-4,15,17,19H,(H,20,21)(H,14,16,18)