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

Systemtic Name: 2-(hydroxymethyl)-5-[8-(pentylamino)-6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(pentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[8-(pentylamino)-6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(pentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[8-(amylamino)-6-(benzylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O4S/c1-2-3-7-10-23-22-26-16-19(27(22)21-18(30)17(29)15(11-28)31-21)24-13-25-20(16)32-12-14-8-5-4-6-9-14/h4-6,8-9,13,15,17-18,21,28-30H,2-3,7,10-12H2,1H3,(H,23,26)