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

Systemtic Name: 3-[6-azanyl-8-(2-phenoxyethylsulfanyl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-8-(2-phenoxyethylsulfanyl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-8-(2-phenoxyethylthio)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-8-(2-phenoxyethylsulfanyl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-8-(2-phenoxyethylthio)purin-9-yl]propane-1,2-diol Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=NC3=C(N2CC(CO)O)N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=NC3=C(N2CC(CO)O)N=CN=C3N

InChI

InChI=1S/C16H19N5O3S/c17-14-13-15(19-10-18-14)21(8-11(23)9-22)16(20-13)25-7-6-24-12-4-2-1-3-5-12/h1-5,10-11,22-23H,6-9H2,(H2,17,18,19)