3-[[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C20H13BrN2O3S MolecularWeight: 441.29782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C20H13BrN2O3S/c21-15-6-4-13(5-7-15)16-10-27-18-17(16)19(24)23(11-22-18)9-12-2-1-3-14(8-12)20(25)26/h1-8,10-11H,9H2,(H,25,26)