4-[5-(5,6-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,6-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoic acid Openeye Name: 4-[5-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)-2-furyl]benzoic acid CAS Name: 4-[5-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]benzoic acid IUPAC Name: 4-[5-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoic acid Traditional Name: 4-[5-(4-keto-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-2-yl)-2-furyl]benzoic acid Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=O)C12)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=O)C12)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C19H14N2O4S/c1-9-10(2)26-18-15(9)17(22)20-16(21-18)14-8-7-13(25-14)11-3-5-12(6-4-11)19(23)24/h3-8,15H,1-2H3,(H,23,24)