2-(chloromethyl)-5-[2-methylsulfanyl-6-(piperidin-1-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(chloromethyl)-5-[2-methylsulfanyl-6-(piperidin-1-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(chloromethyl)-5-[2-methylsulfanyl-6-(1-piperidylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(chloromethyl)-5-[2-(methylthio)-6-(1-piperidinylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(chloromethyl)-5-[2-methylsulfanyl-6-(piperidin-1-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(chloromethyl)-5-[2-(methylthio)-6-(piperidinoamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H23ClN6O3S MolecularWeight: 414.91022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NN3CCCCC3)N=CN2C4C(C(C(O4)CCl)O)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)NN3CCCCC3)N=CN2C4C(C(C(O4)CCl)O)O

InChI

InChI=1S/C16H23ClN6O3S/c1-27-16-19-13(21-22-5-3-2-4-6-22)10-14(20-16)23(8-18-10)15-12(25)11(24)9(7-17)26-15/h8-9,11-12,15,24-25H,2-7H2,1H3,(H,19,20,21)