ethyl 5-azanyl-2-methylsulfanyl-4-phenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-phenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-7-benzyl-2-methylsulfanyl-4-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-phenyl-7-(phenylmethyl)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-benzyl-2-methylsulfanyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-7-benzyl-2-(methylthio)-4-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2N1CC3=CC=CC=C3)SC)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2N1CC3=CC=CC=C3)SC)C4=CC=CC=C4)N

InChI

InChI=1S/C23H22N4O2S/c1-3-29-22(28)20-18(24)17-19(16-12-8-5-9-13-16)25-23(30-2)26-21(17)27(20)14-15-10-6-4-7-11-15/h4-13H,3,14,24H2,1-2H3