2-[(7-ethyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(7-ethyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Openeye Name: 2-[(7-ethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid CAS Name: 2-[(7-ethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid IUPAC Name: 2-[(7-ethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Traditional Name: 2-[(7-ethyl-4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC2=C1NC(=NC2=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CSC2=C1NC(=NC2=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-2-9-8-22-14-13(9)17-12(18-15(14)19)7-10-5-3-4-6-11(10)16(20)21/h3-6,8H,2,7H2,1H3,(H,20,21)(H,17,18,19)