ethyl 5-azanyl-7-methyl-2-methylsulfanyl-4-phenylazanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-7-methyl-2-methylsulfanyl-4-phenylazanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-anilino-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-anilino-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-anilino-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-anilino-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)N=C(N=C2NC3=CC=CC=C3)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)N=C(N=C2NC3=CC=CC=C3)SC)N

InChI

InChI=1S/C17H19N5O2S/c1-4-24-16(23)13-12(18)11-14(19-10-8-6-5-7-9-10)20-17(25-3)21-15(11)22(13)2/h5-9H,4,18H2,1-3H3,(H,19,20,21)