2-(hydroxymethyl)-5-[6-[(3-methyl-1-oxidanyl-but-3-enyl)amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(3-methyl-1-oxidanyl-but-3-enyl)amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(1-hydroxy-3-methyl-but-3-enyl)amino]-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(1-hydroxy-3-methylbut-3-enyl)amino]-2-(methylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(1-hydroxy-3-methylbut-3-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[(1-hydroxy-3-methyl-but-3-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(=C)CC(NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)O

Isomeric SMILES

CC(=C)CC(NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC)O

InChI

InChI=1S/C16H23N5O5S/c1-7(2)4-9(23)18-13-10-14(20-16(19-13)27-3)21(6-17-10)15-12(25)11(24)8(5-22)26-15/h6,8-9,11-12,15,22-25H,1,4-5H2,2-3H3,(H,18,19,20)