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

Systemtic Name: ethyl 4-[(4-ethylphenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 4-(4-ethylanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 4-(4-ethylanilino)-5,6-dimethyl-7-phenyl-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-(4-ethylanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=C(N3C4=CC=CC=C4)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=C(N3C4=CC=CC=C4)C)C)C(=O)OCC

InChI

InChI=1S/C25H26N4O2/c1-5-18-12-14-19(15-13-18)26-22-21-16(3)17(4)29(20-10-8-7-9-11-20)24(21)28-23(27-22)25(30)31-6-2/h7-15H,5-6H2,1-4H3,(H,26,27,28)