dimethyl 7-(4-iodophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

Systemtic Name: dimethyl 7-(4-iodophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Openeye Name: dimethyl 7-(4-iodobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate CAS Name: 7-[(4-iodophenyl)-oxomethyl]-3-phenylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(4-iodobenzoyl)-3-phenylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Traditional Name: 7-(4-iodobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester Formula: C24H17IN2O5 MolecularWeight: 540.30665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17IN2O5/c1-31-23(29)19-18-12-17(14-6-4-3-5-7-14)26-13-27(18)21(20(19)24(30)32-2)22(28)15-8-10-16(25)11-9-15/h3-13H,1-2H3