(2S,3R,5S)-2-(hydroxymethyl)-5-(2-phenylsulfanyl-6-prop-2-enoxy-purin-9-yl)oxolan-3-ol

Systemtic Name: (2S,3R,5S)-2-(hydroxymethyl)-5-(2-phenylsulfanyl-6-prop-2-enoxy-purin-9-yl)oxolan-3-ol Openeye Name: (2S,3R,5S)-5-(6-allyloxy-2-phenylsulfanyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2S,3R,5S)-2-(hydroxymethyl)-5-[2-(phenylthio)-6-prop-2-enoxy-9-purinyl]-3-oxolanol IUPAC Name: (2S,3R,5S)-2-(hydroxymethyl)-5-(2-phenylsulfanyl-6-prop-2-enoxypurin-9-yl)oxolan-3-ol Traditional Name: (2S,3R,5S)-5-[6-allyloxy-2-(phenylthio)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)SC4=CC=CC=C4

Isomeric SMILES

C=CCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@H]([C@@H](O3)CO)O)SC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O4S/c1-2-8-26-18-16-17(21-19(22-18)28-12-6-4-3-5-7-12)23(11-20-16)15-9-13(25)14(10-24)27-15/h2-7,11,13-15,24-25H,1,8-10H2/t13-,14+,15+/m1/s1