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

Systemtic Name: methyl 5-azanyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-4-(2-methoxy-2-oxo-ethyl)sulfanyl-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-[(2-methoxy-2-oxoethyl)thio]-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(2-methoxy-2-oxoethyl)sulfanyl-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-[(2-keto-2-methoxy-ethyl)thio]-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1N=C(N=C2SCC(=O)OC)SC)N)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=C1N=C(N=C2SCC(=O)OC)SC)N)C(=O)OC

InChI

InChI=1S/C13H16N4O4S2/c1-17-9(12(19)21-3)8(14)7-10(17)15-13(22-4)16-11(7)23-5-6(18)20-2/h5,14H2,1-4H3