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

Systemtic Name: 2-(hydroxymethyl)-5-[8-(methylamino)-6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[8-(methylamino)-6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(methylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O4S/c1-19-18-22-12-15(23(18)17-14(26)13(25)11(7-24)27-17)20-9-21-16(12)28-8-10-5-3-2-4-6-10/h2-6,9,11,13-14,17,24-26H,7-8H2,1H3,(H,19,22)