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

Systemtic Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3S/c1-8(16(21)22)19-7-18-14-13(15(19)20)12(9(2)23-14)10-3-5-11(17)6-4-10/h3-8H,1-2H3,(H,21,22)