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

Systemtic Name: 6-azanyl-9-[2-(4-methylphenoxy)ethyl]purine-8-sulfonic acid Openeye Name: 6-amino-9-[2-(4-methylphenoxy)ethyl]purine-8-sulfonic acid CAS Name: 6-amino-9-[2-(4-methylphenoxy)ethyl]-8-purinesulfonic acid IUPAC Name: 6-amino-9-[2-(4-methylphenoxy)ethyl]purine-8-sulfonic acid Traditional Name: 6-amino-9-[2-(4-methylphenoxy)ethyl]purine-8-sulfonic acid Formula: C14H15N5O4S MolecularWeight: 349.365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)O

InChI

InChI=1S/C14H15N5O4S/c1-9-2-4-10(5-3-9)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)