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

Systemtic Name: 2-[8-(ethylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(ethylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(ethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O4S/c1-2-20-19-23-13-16(24(19)18-15(27)14(26)12(8-25)28-18)21-10-22-17(13)29-9-11-6-4-3-5-7-11/h3-7,10,12,14-15,18,25-27H,2,8-9H2,1H3,(H,20,23)