6-(phenylmethylsulfanyl)-7H-purine-8-sulfonic acid

Systemtic Name: 6-(phenylmethylsulfanyl)-7H-purine-8-sulfonic acid Openeye Name: 6-benzylsulfanyl-7H-purine-8-sulfonic acid CAS Name: 6-(phenylmethylthio)-7H-purine-8-sulfonic acid IUPAC Name: 6-benzylsulfanyl-7H-purine-8-sulfonic acid Traditional Name: 6-(benzylthio)-7H-purine-8-sulfonic acid Formula: C12H10N4O3S2 MolecularWeight: 322.3628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)S(=O)(=O)O

InChI

InChI=1S/C12H10N4O3S2/c17-21(18,19)12-15-9-10(16-12)13-7-14-11(9)20-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,18,19)(H,13,14,15,16)