ethyl 7-(4-chlorophenyl)-5-methyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-(4-chlorophenyl)-5-methyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(4-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-(4-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 7-(4-chlorophenyl)-4-keto-5-methyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)NC=NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)NC=NC2=O)C

InChI

InChI=1S/C16H14ClN3O3/c1-3-23-16(22)13-9(2)12-14(18-8-19-15(12)21)20(13)11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,19,21)