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

Systemtic Name: 2-(hydroxymethyl)-5-[8-(methylaminosulfanyl)-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzyl-6-hydroxy-8-(methylaminosulfanyl)-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-N-methyl-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-6-hydroxy-8-(methylaminosulfanyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-6-hydroxy-8-(methylaminothio)-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

Isomeric SMILES

CNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

InChI

InChI=1S/C18H23N5O5S/c1-19-29-17-22-14-15(23(17)16-13(26)12(25)11(8-24)28-16)20-9-21-18(14,27)7-10-5-3-2-4-6-10/h2-6,9,11-13,16,19,24-27H,7-8H2,1H3,(H,20,21)