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3-[[2,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-6-yl]sulfanyl]propanoic acid

3-[[2,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-6-yl]sulfanyl]propanoic acid

Systemtic Name:3-[[2,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-6-yl]sulfanyl]propanoic acid
Openeye Name:3-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)sulfanyl]propanoic acid
CAS Name:3-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)thio]propanoic acid
IUPAC Name:3-[(2,8-dioxo-7,9-dihydro-3H-purin-6-yl)sulfanyl]propanoic acid
Traditional Name:3-[(2,8-diketo-7,9-dihydro-3H-purin-6-yl)thio]propionic acid
Formula: C8H8N4O4S
MolecularWeight: 256.23852
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Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NC(=O)NC2=C1NC(=O)N2)C(=O)O


Isomeric SMILES

C(CSC1=NC(=O)NC2=C1NC(=O)N2)C(=O)O


InChI

InChI=1S/C8H8N4O4S/c13-3(14)1-2-17-6-4-5(10-7(15)9-4)11-8(16)12-6/h1-2H2,(H,13,14)(H3,9,10,11,12,15,16)


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