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

Systemtic Name: 2-[(6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylmethyl]indene-1,3-dione Openeye Name: 2-[(6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylmethyl]indane-1,3-dione CAS Name: 2-[[(6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]methyl]indene-1,3-dione IUPAC Name: 2-[(6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylmethyl]indene-1,3-dione Traditional Name: 2-[[(6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]methyl]indane-1,3-quinone Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C20H14N2O4S/c23-16-10-17(24)22(12-6-2-1-3-7-12)20(21-16)27-11-15-18(25)13-8-4-5-9-14(13)19(15)26/h1-10,15,24H,11H2