2-[2-chloranyl-6-[(4-phenylsulfanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-[(4-phenylsulfanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(4-phenylsulfanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-[[4-(phenylthio)cyclohexyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-[(4-phenylsulfanylcyclohexyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[[4-(phenylthio)cyclohexyl]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H26ClN5O4S MolecularWeight: 491.99094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)SC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)SC5=CC=CC=C5

InChI

InChI=1S/C22H26ClN5O4S/c23-22-26-19(25-12-6-8-14(9-7-12)33-13-4-2-1-3-5-13)16-20(27-22)28(11-24-16)21-18(31)17(30)15(10-29)32-21/h1-5,11-12,14-15,17-18,21,29-31H,6-10H2,(H,25,26,27)