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

Systemtic Name: ethyl 5,6-dimethyl-4-[(3-methylsulfanylphenyl)amino]-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 5,6-dimethyl-4-(3-methylsulfanylanilino)-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 5,6-dimethyl-4-[3-(methylthio)anilino]-7-phenyl-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethyl-4-(3-methylsulfanylanilino)-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 5,6-dimethyl-4-[3-(methylthio)anilino]-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C24H24N4O2S MolecularWeight: 432.53796

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2S/c1-5-30-24(29)22-26-21(25-17-10-9-13-19(14-17)31-4)20-15(2)16(3)28(23(20)27-22)18-11-7-6-8-12-18/h6-14H,5H2,1-4H3,(H,25,26,27)