2-[6-azanyl-8-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-8-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(2-hydroxy-3-phenoxy-propyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-[(2-hydroxy-3-phenoxypropyl)thio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(2-hydroxy-3-phenoxypropyl)sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-[(2-hydroxy-3-phenoxy-propyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H23N5O6S MolecularWeight: 449.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)O

InChI

InChI=1S/C19H23N5O6S/c20-16-13-17(22-9-21-16)24(18-15(28)14(27)12(6-25)30-18)19(23-13)31-8-10(26)7-29-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,25-28H,6-8H2,(H2,20,21,22)