2-(6-azanyl-2-hex-5-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-2-hex-5-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-hex-5-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(hex-5-enylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-hex-5-enylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(hex-5-enylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C=CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C16H23N5O4S/c1-2-3-4-5-6-26-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h2,8-9,11-12,15,22-24H,1,3-7H2,(H2,17,19,20)