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methyl 2-[(6E)-6-[(4-bromophenyl)methylidene]-2,4,5-tris(oxidanylidene)-1-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-3-yl]ethanoate

methyl 2-[(6E)-6-[(4-bromophenyl)methylidene]-2,4,5-tris(oxidanylidene)-1-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name:methyl 2-[(6E)-6-[(4-bromophenyl)methylidene]-2,4,5-tris(oxidanylidene)-1-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-3-yl]ethanoate
Openeye Name:methyl 2-[(6E)-1-benzyl-6-[(4-bromophenyl)methylene]-2,4,5-trioxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetate
CAS Name:2-[(6E)-6-[(4-bromophenyl)methylidene]-2,4,5-trioxo-1-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetic acid methyl ester
IUPAC Name:methyl 2-[(6E)-1-benzyl-6-[(4-bromophenyl)methylidene]-2,4,5-trioxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetate
Traditional Name:2-[(6E)-1-benzyl-6-(4-bromobenzylidene)-2,4,5-triketo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]acetic acid methyl ester
Formula: C23H18BrN3O5
MolecularWeight: 496.31012
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(NC(=CC3=CC=C(C=C3)Br)C2=O)N(C1=O)CC4=CC=CC=C4


Isomeric SMILES

COC(=O)CN1C(=O)C2=C(N/C(=C/C3=CC=C(C=C3)Br)/C2=O)N(C1=O)CC4=CC=CC=C4


InChI

InChI=1S/C23H18BrN3O5/c1-32-18(28)13-27-22(30)19-20(29)17(11-14-7-9-16(24)10-8-14)25-21(19)26(23(27)31)12-15-5-3-2-4-6-15/h2-11,25H,12-13H2,1H3/b17-11+


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