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

Systemtic Name: ethyl 5,6-dimethyl-7-phenyl-4-[(4-propan-2-ylphenyl)amino]pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 4-(4-isopropylanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 5,6-dimethyl-7-phenyl-4-(4-propan-2-ylanilino)-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethyl-7-phenyl-4-(4-propan-2-ylanilino)pyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-cumidino-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C26H28N4O2 MolecularWeight: 428.52612

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-6-32-26(31)24-28-23(27-20-14-12-19(13-15-20)16(2)3)22-17(4)18(5)30(25(22)29-24)21-10-8-7-9-11-21/h7-16H,6H2,1-5H3,(H,27,28,29)