2-[(4-oxidanylidene-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate

Systemtic Name: 2-[(4-oxidanylidene-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate Openeye Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate CAS Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate IUPAC Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate Traditional Name: 2-[(4-keto-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoate Formula: C20H13N2O3S- MolecularWeight: 361.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2NC(=NC3=O)CC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2NC(=NC3=O)CC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C20H14N2O3S/c23-19-18-17(15(11-26-18)12-6-2-1-3-7-12)21-16(22-19)10-13-8-4-5-9-14(13)20(24)25/h1-9,11H,10H2,(H,24,25)(H,21,22,23)/p-1