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

Systemtic Name: 6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purine-8-sulfonic acid Openeye Name: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purine-8-sulfonic acid CAS Name: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-8-purinesulfonic acid IUPAC Name: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purine-8-sulfonic acid Traditional Name: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purine-8-sulfonic acid Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O

InChI

InChI=1S/C15H17N5O5S/c1-2-24-10-3-5-11(6-4-10)25-8-7-20-14-12(13(16)17-9-18-14)19-15(20)26(21,22)23/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18)(H,21,22,23)