1-[[3-(3-ethanoylphenyl)phenyl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 1-[[3-(3-ethanoylphenyl)phenyl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-[[3-(3-acetylphenyl)phenyl]methyl]-3-hydroxy-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 1-[[3-(3-acetylphenyl)phenyl]methyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-[[3-(3-acetylphenyl)phenyl]methyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-[3-(3-acetylphenyl)benzyl]-3-hydroxy-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CN3C4=C(C(=O)N(C3=O)O)SC=C4

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CN3C4=C(C(=O)N(C3=O)O)SC=C4

InChI

InChI=1S/C21H16N2O4S/c1-13(24)15-5-3-7-17(11-15)16-6-2-4-14(10-16)12-22-18-8-9-28-19(18)20(25)23(27)21(22)26/h2-11,27H,12H2,1H3