diethyl 5-cyano-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

Systemtic Name: diethyl 5-cyano-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate Openeye Name: diethyl 5-cyano-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate CAS Name: 5-cyano-7-[2-(methylthio)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-cyano-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate Traditional Name: 5-cyano-7-[2-(methylthio)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylic acid diethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CN(C2=NC(=N1)C(=O)OCC)CCSC)C#N

Isomeric SMILES

CCOC(=O)C1=C2C(=CN(C2=NC(=N1)C(=O)OCC)CCSC)C#N

InChI

InChI=1S/C16H18N4O4S/c1-4-23-15(21)12-11-10(8-17)9-20(6-7-25-3)14(11)19-13(18-12)16(22)24-5-2/h9H,4-7H2,1-3H3