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

Systemtic Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C22H16BrN2O3S- MolecularWeight: 468.34304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-2-17-18(14-6-8-16(23)9-7-14)19-20(29-17)24-12-25(21(19)26)11-13-4-3-5-15(10-13)22(27)28/h3-10,12H,2,11H2,1H3,(H,27,28)/p-1