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

Systemtic Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid Openeye Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoic acid CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]butyric acid Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-3-12(17(22)23)20-8-19-15-14(16(20)21)13(9(2)24-15)10-4-6-11(18)7-5-10/h4-8,12H,3H2,1-2H3,(H,22,23)