methyl 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(6-amino-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-amino-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]acetic acid methyl ester Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

COC(=O)CSC1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C8H9N5O2S/c1-15-4(14)2-16-8-12-5-6(9)10-3-11-7(5)13-8/h3H,2H2,1H3,(H3,9,10,11,12,13)