2-[8-(cyclohexylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[8-(cyclohexylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzyl-8-(cyclohexylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: N-cyclohexyl-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-8-(cyclohexylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-8-[(cyclohexylamino)thio]-6-hydroxy-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C23H31N5O5S/c29-12-16-17(30)18(31)21(33-16)28-20-19(26-22(28)34-27-15-9-5-2-6-10-15)23(32,25-13-24-20)11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-18,21,27,29-32H,2,5-6,9-12H2,(H,24,25)