(2R,3R,4S,5R)-2-[6-[(3-fluorophenyl)methylamino]-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[6-[(3-fluorophenyl)methylamino]-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-[(3-fluorophenyl)methylamino]-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-[(3-fluorophenyl)methylamino]-2-(methylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-[(3-fluorophenyl)methylamino]-2-methylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-[(3-fluorobenzyl)amino]-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H20FN5O4S MolecularWeight: 421.445903

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)F)N=CN2C4C(C(C(O4)CO)O)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)F)N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

InChI

InChI=1S/C18H20FN5O4S/c1-29-18-22-15(20-6-9-3-2-4-10(19)5-9)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,22,23)/t11-,13-,14-,17-/m1/s1