2-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanol

Systemtic Name: 2-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanol Openeye Name: 2-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanol CAS Name: 2-[[6-amino-9-[2-(4-methylphenoxy)ethyl]-8-purinyl]thio]ethanol IUPAC Name: 2-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanol Traditional Name: 2-[[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]thio]ethanol Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCO

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCO

InChI

InChI=1S/C16H19N5O2S/c1-11-2-4-12(5-3-11)23-8-6-21-15-13(14(17)18-10-19-15)20-16(21)24-9-7-22/h2-5,10,22H,6-9H2,1H3,(H2,17,18,19)