dimethyl 3-(4-cyanophenyl)-7-(phenylcarbonyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

Systemtic Name: dimethyl 3-(4-cyanophenyl)-7-(phenylcarbonyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Openeye Name: dimethyl 7-benzoyl-3-(4-cyanophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate CAS Name: 7-benzoyl-3-(4-cyanophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-benzoyl-3-(4-cyanophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Traditional Name: 7-benzoyl-3-(4-cyanophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OC)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OC)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17N3O5/c1-32-24(30)20-19-12-18(16-10-8-15(13-26)9-11-16)27-14-28(19)22(21(20)25(31)33-2)23(29)17-6-4-3-5-7-17/h3-12,14H,1-2H3