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2-[(2-methyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]ethanoic acid

2-[(2-methyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]ethanoic acid

Systemtic Name:2-[(2-methyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]ethanoic acid
Openeye Name:2-[(2-methyl-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]acetic acid
CAS Name:2-[(2-methyl-6-oxo-3,7-dihydropurin-8-yl)thio]acetic acid
IUPAC Name:2-[(2-methyl-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]acetic acid
Traditional Name:2-[(6-keto-2-methyl-3,7-dihydropurin-8-yl)thio]acetic acid
Formula: C8H8N4O3S
MolecularWeight: 240.23912
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N=C(N2)SCC(=O)O


Isomeric SMILES

CC1=NC(=O)C2=C(N1)N=C(N2)SCC(=O)O


InChI

InChI=1S/C8H8N4O3S/c1-3-9-6-5(7(15)10-3)11-8(12-6)16-2-4(13)14/h2H2,1H3,(H,13,14)(H2,9,10,11,12,15)


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