2-(7H-purin-6-ylsulfanyl)butanedioic acid

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)butanedioic acid Openeye Name: 2-(7H-purin-6-ylsulfanyl)butanedioic acid CAS Name: 2-(7H-purin-6-ylthio)butanedioic acid IUPAC Name: 2-(7H-purin-6-ylsulfanyl)butanedioic acid Traditional Name: 2-(7H-purin-6-ylthio)succinic acid Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC(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/h2-4H,1H2,(H,14,15)(H,16,17)(H,10,11,12,13)