3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 3-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoate IUPAC Name: 3-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C20H13N2O3S- MolecularWeight: 361.39382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H14N2O3S/c23-19-17-16(14-6-2-1-3-7-14)11-26-18(17)21-12-22(19)10-13-5-4-8-15(9-13)20(24)25/h1-9,11-12H,10H2,(H,24,25)/p-1