ethyl 4-[(3-chlorophenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 4-(3-chloroanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 4-(3-chloroanilino)-5,6-dimethyl-7-phenyl-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloroanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-(3-chloroanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C(=N1)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C(=N1)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN4O2/c1-4-30-23(29)21-26-20(25-17-10-8-9-16(24)13-17)19-14(2)15(3)28(22(19)27-21)18-11-6-5-7-12-18/h5-13H,4H2,1-3H3,(H,25,26,27)