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

Systemtic Name: ethyl 5-azanyl-4-(butylamino)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(butylamino)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(butylamino)-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(butylamino)-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(butylamino)-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H23N5O2S MolecularWeight: 337.44042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C(=C(N2C)C(=O)OCC)N)SC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C(=C(N2C)C(=O)OCC)N)SC

InChI

InChI=1S/C15H23N5O2S/c1-5-7-8-17-12-9-10(16)11(14(21)22-6-2)20(3)13(9)19-15(18-12)23-4/h5-8,16H2,1-4H3,(H,17,18,19)