2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C19H13N3O4S/c23-15-14(11-6-2-1-3-7-11)16(24)21-19(20-15)27-10-22-17(25)12-8-4-5-9-13(12)18(22)26/h1-9H,10H2,(H2,20,21,23,24)