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

Systemtic Name: ethyl 4-[(4-bromanyl-3-methyl-phenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 4-(4-bromo-3-methyl-anilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 4-(4-bromo-3-methylanilino)-5,6-dimethyl-7-phenyl-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-methylanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-(4-bromo-3-methyl-anilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C24H23BrN4O2 MolecularWeight: 479.36902

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN4O2/c1-5-31-24(30)22-27-21(26-17-11-12-19(25)14(2)13-17)20-15(3)16(4)29(23(20)28-22)18-9-7-6-8-10-18/h6-13H,5H2,1-4H3,(H,26,27,28)