6-azanyl-9-[2-(2-methylphenoxy)ethyl]purine-8-sulfonate

Systemtic Name: 6-azanyl-9-[2-(2-methylphenoxy)ethyl]purine-8-sulfonate Openeye Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]purine-8-sulfonate CAS Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]-8-purinesulfonate IUPAC Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]purine-8-sulfonate Traditional Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]purine-8-sulfonate Formula: C14H14N5O4S- MolecularWeight: 348.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-9-4-2-3-5-10(9)23-7-6-19-13-11(12(15)16-8-17-13)18-14(19)24(20,21)22/h2-5,8H,6-7H2,1H3,(H2,15,16,17)(H,20,21,22)/p-1