ethyl 2-azanyl-6-methylsulfanyl-purine-7-carboxylate

Systemtic Name: ethyl 2-azanyl-6-methylsulfanyl-purine-7-carboxylate Openeye Name: ethyl 2-amino-6-methylsulfanyl-purine-7-carboxylate CAS Name: 2-amino-6-(methylthio)-7-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-methylsulfanylpurine-7-carboxylate Traditional Name: 2-amino-6-(methylthio)purine-7-carboxylic acid ethyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=NC2=C1C(=NC(=N2)N)SC

Isomeric SMILES

CCOC(=O)N1C=NC2=C1C(=NC(=N2)N)SC

InChI

InChI=1S/C9H11N5O2S/c1-3-16-9(15)14-4-11-6-5(14)7(17-2)13-8(10)12-6/h4H,3H2,1-2H3,(H2,10,12,13)