2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-(methylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)CO

Isomeric SMILES

C/C(=C\CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)/CO

InChI

InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3+