4-(7H-purin-6-ylsulfanyl)butane-1-sulfonic acid

Systemtic Name: 4-(7H-purin-6-ylsulfanyl)butane-1-sulfonic acid Openeye Name: 4-(7H-purin-6-ylsulfanyl)butane-1-sulfonic acid CAS Name: 4-(7H-purin-6-ylthio)-1-butanesulfonic acid IUPAC Name: 4-(7H-purin-6-ylsulfanyl)butane-1-sulfonic acid Traditional Name: 4-(7H-purin-6-ylthio)butane-1-sulfonic acid Formula: C9H12N4O3S2 MolecularWeight: 288.34658

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCCCS(=O)(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCCCS(=O)(=O)O

InChI

InChI=1S/C9H12N4O3S2/c14-18(15,16)4-2-1-3-17-9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,14,15,16)(H,10,11,12,13)