2-[8-(cyclohexylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[8-(cyclohexylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(cyclohexylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(cyclohexylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C23H29N5O4S/c29-11-16-18(30)19(31)22(32-16)28-20-17(27-23(28)26-15-9-5-2-6-10-15)21(25-13-24-20)33-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-16,18-19,22,29-31H,2,5-6,9-12H2,(H,26,27)