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methyl 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoate

methyl 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoate

Systemtic Name:methyl 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoate
Openeye Name:methyl 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetate
CAS Name:2-[(6-oxo-3,7-dihydropurin-2-yl)thio]acetic acid methyl ester
IUPAC Name:methyl 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetate
Traditional Name:2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetic acid methyl ester
Formula: C8H8N4O3S
MolecularWeight: 240.23912
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=O)C2=C(N1)N=CN2


Isomeric SMILES

COC(=O)CSC1=NC(=O)C2=C(N1)N=CN2


InChI

InChI=1S/C8H8N4O3S/c1-15-4(13)2-16-8-11-6-5(7(14)12-8)9-3-10-6/h3H,2H2,1H3,(H2,9,10,11,12,14)


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