6-azanyl-9-[2-(4-chloranylphenoxy)ethyl]purine-8-sulfonic acid

Systemtic Name: 6-azanyl-9-[2-(4-chloranylphenoxy)ethyl]purine-8-sulfonic acid Openeye Name: 6-amino-9-[2-(4-chlorophenoxy)ethyl]purine-8-sulfonic acid CAS Name: 6-amino-9-[2-(4-chlorophenoxy)ethyl]-8-purinesulfonic acid IUPAC Name: 6-amino-9-[2-(4-chlorophenoxy)ethyl]purine-8-sulfonic acid Traditional Name: 6-amino-9-[2-(4-chlorophenoxy)ethyl]purine-8-sulfonic acid Formula: C13H12ClN5O4S MolecularWeight: 369.78348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O)Cl

InChI

InChI=1S/C13H12ClN5O4S/c14-8-1-3-9(4-2-8)23-6-5-19-12-10(11(15)16-7-17-12)18-13(19)24(20,21)22/h1-4,7H,5-6H2,(H2,15,16,17)(H,20,21,22)