4-(4,6-dihydro-1H-purin-6-ylsulfanyl)butanoic acid

Systemtic Name: 4-(4,6-dihydro-1H-purin-6-ylsulfanyl)butanoic acid Openeye Name: 4-(4,6-dihydro-1H-purin-6-ylsulfanyl)butanoic acid CAS Name: 4-(4,6-dihydro-1H-purin-6-ylthio)butanoic acid IUPAC Name: 4-(4,6-dihydro-1H-purin-6-ylsulfanyl)butanoic acid Traditional Name: 4-(4,6-dihydro-1H-purin-6-ylthio)butyric acid Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=NC=N2)C(N1)SCCCC(=O)O

Isomeric SMILES

C1=NC2C(=NC=N2)C(N1)SCCCC(=O)O

InChI

InChI=1S/C9H12N4O2S/c14-6(15)2-1-3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5,8-9H,1-3H2,(H,12,13)(H,14,15)