4-[[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-12-17(14-6-8-16(22)9-7-14)18-19(28-12)23-11-24(20(18)25)10-13-2-4-15(5-3-13)21(26)27/h2-9,11H,10H2,1H3,(H,26,27)