6-azanyl-9-(2-naphthalen-1-yloxyethyl)purine-8-sulfonic acid

Systemtic Name: 6-azanyl-9-(2-naphthalen-1-yloxyethyl)purine-8-sulfonic acid Openeye Name: 6-amino-9-[2-(1-naphthyloxy)ethyl]purine-8-sulfonic acid CAS Name: 6-amino-9-[2-(1-naphthalenyloxy)ethyl]-8-purinesulfonic acid IUPAC Name: 6-amino-9-(2-naphthalen-1-yloxyethyl)purine-8-sulfonic acid Traditional Name: 6-amino-9-[2-(1-naphthoxy)ethyl]purine-8-sulfonic acid Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCCN3C4=C(C(=NC=N4)N)N=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCCN3C4=C(C(=NC=N4)N)N=C3S(=O)(=O)O

InChI

InChI=1S/C17H15N5O4S/c18-15-14-16(20-10-19-15)22(17(21-14)27(23,24)25)8-9-26-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8-9H2,(H2,18,19,20)(H,23,24,25)