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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-2-12-14(10-3-5-11(18)6-4-10)15-16(24-12)19-9-20(17(15)23)8-7-13(21)22/h3-6,9H,2,7-8H2,1H3,(H,21,22)