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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)-8-(propylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(phenylmethylthio)-8-(propylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(propylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O4S/c1-2-8-21-20-24-14-17(25(20)19-16(28)15(27)13(9-26)29-19)22-11-23-18(14)30-10-12-6-4-3-5-7-12/h3-7,11,13,15-16,19,26-28H,2,8-10H2,1H3,(H,21,24)