2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-(methylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(3-methylbut-2-enylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)