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

Systemtic Name: ethyl 7-(3-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 7-(3-chlorophenyl)-5,6-dimethyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 7-(3-chlorophenyl)-5,6-dimethyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-chlorophenyl)-5,6-dimethyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 7-(3-chlorophenyl)-4-keto-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N(C(=C2C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N(C(=C2C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3O3/c1-4-24-17(23)14-19-15-13(16(22)20-14)9(2)10(3)21(15)12-7-5-6-11(18)8-12/h5-8H,4H2,1-3H3,(H,19,20,22)