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

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C24H21BrN2O3S MolecularWeight: 497.40414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O3S/c1-3-19-20(17-9-11-18(25)12-10-17)21-22(31-19)26-14-27(23(21)28)15(2)24(29)30-13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3