3-[6-azanyl-8-[2-(4-chloranylphenoxy)ethylsulfanyl]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-8-[2-(4-chloranylphenoxy)ethylsulfanyl]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-8-[2-(4-chlorophenoxy)ethylsulfanyl]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-8-[2-(4-chlorophenoxy)ethylthio]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-8-[2-(4-chlorophenoxy)ethylsulfanyl]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-8-[2-(4-chlorophenoxy)ethylthio]purin-9-yl]propane-1,2-diol Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCSC2=NC3=C(N2CC(CO)O)N=CN=C3N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCSC2=NC3=C(N2CC(CO)O)N=CN=C3N)Cl

InChI

InChI=1S/C16H18ClN5O3S/c17-10-1-3-12(4-2-10)25-5-6-26-16-21-13-14(18)19-9-20-15(13)22(16)7-11(24)8-23/h1-4,9,11,23-24H,5-8H2,(H2,18,19,20)