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

Systemtic Name: ethyl 2-methylsulfanyl-7H-purine-6-carboxylate Openeye Name: ethyl 2-methylsulfanyl-7H-purine-6-carboxylate CAS Name: 2-(methylthio)-7H-purine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-7H-purine-6-carboxylate Traditional Name: 2-(methylthio)-7H-purine-6-carboxylic acid ethyl ester Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=NC(=N1)SC)N=CN2

Isomeric SMILES

CCOC(=O)C1=C2C(=NC(=N1)SC)N=CN2

InChI

InChI=1S/C9H10N4O2S/c1-3-15-8(14)6-5-7(11-4-10-5)13-9(12-6)16-2/h4H,3H2,1-2H3,(H,10,11,12,13)