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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCCCC4)Cl)O)O

Isomeric SMILES

CSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCCCC4)Cl)O)O

InChI

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