2-[2-chloranyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-ethenyl-oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-ethenyl-oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(4-phenylsulfanyl-1-piperidyl)amino]purin-9-yl]-5-vinyl-tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-[[4-(phenylthio)-1-piperidinyl]amino]-9-purinyl]-5-ethenyloxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-ethenyloxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[[4-(phenylthio)piperidino]amino]purin-9-yl]-5-vinyl-tetrahydrofuran-3,4-diol Formula: C22H25ClN6O3S MolecularWeight: 488.9903

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)SC5=CC=CC=C5)Cl)O)O

Isomeric SMILES

C=CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)SC5=CC=CC=C5)Cl)O)O

InChI

InChI=1S/C22H25ClN6O3S/c1-2-15-17(30)18(31)21(32-15)29-12-24-16-19(25-22(23)26-20(16)29)27-28-10-8-14(9-11-28)33-13-6-4-3-5-7-13/h2-7,12,14-15,17-18,21,30-31H,1,8-11H2,(H,25,26,27)