6-azanyl-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purine-8-sulfonate

Systemtic Name: 6-azanyl-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purine-8-sulfonate Openeye Name: 6-amino-9-[2-(4-isopropoxyphenoxy)ethyl]purine-8-sulfonate CAS Name: 6-amino-9-[2-(4-propan-2-yloxyphenoxy)ethyl]-8-purinesulfonate IUPAC Name: 6-amino-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purine-8-sulfonate Traditional Name: 6-amino-9-[2-(4-isopropoxyphenoxy)ethyl]purine-8-sulfonate Formula: C16H18N5O5S- MolecularWeight: 392.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-10(2)26-12-5-3-11(4-6-12)25-8-7-21-15-13(14(17)18-9-19-15)20-16(21)27(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19)(H,22,23,24)/p-1