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

Systemtic Name: 2-[8-(cyclopropylamino)-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzylsulfanyl-8-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[8-(cyclopropylamino)-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-benzylsulfanyl-8-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-(cyclopropylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C20H23N5O4S/c26-8-13-15(27)16(28)19(29-13)25-17-14(24-20(25)23-12-6-7-12)18(22-10-21-17)30-9-11-4-2-1-3-5-11/h1-5,10,12-13,15-16,19,26-28H,6-9H2,(H,23,24)