6-azanyl-9-(2-phenoxyethyl)purine-8-sulfonic acid

Systemtic Name: 6-azanyl-9-(2-phenoxyethyl)purine-8-sulfonic acid Openeye Name: 6-amino-9-(2-phenoxyethyl)purine-8-sulfonic acid CAS Name: 6-amino-9-(2-phenoxyethyl)-8-purinesulfonic acid IUPAC Name: 6-amino-9-(2-phenoxyethyl)purine-8-sulfonic acid Traditional Name: 6-amino-9-(2-phenoxyethyl)purine-8-sulfonic acid Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4S/c14-11-10-12(16-8-15-11)18(13(17-10)23(19,20)21)6-7-22-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)(H,19,20,21)