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2-(5H-purin-6-ylsulfanyl)butanedioic acid

2-(5H-purin-6-ylsulfanyl)butanedioic acid

Systemtic Name:2-(5H-purin-6-ylsulfanyl)butanedioic acid
Openeye Name:2-(5H-purin-6-ylsulfanyl)butanedioic acid
CAS Name:2-(5H-purin-6-ylthio)butanedioic acid
IUPAC Name:2-(5H-purin-6-ylsulfanyl)butanedioic acid
Traditional Name:2-(5H-purin-6-ylthio)succinic acid
Formula: C9H8N4O4S
MolecularWeight: 268.24922
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2SC(CC(=O)O)C(=O)O


Isomeric SMILES

C1=NC2C(=N1)N=CN=C2SC(CC(=O)O)C(=O)O


InChI

InChI=1S/C9H8N4O4S/c14-5(15)1-4(9(16)17)18-8-6-7(11-2-10-6)12-3-13-8/h2-4,6H,1H2,(H,14,15)(H,16,17)


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