3-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(2-methylpropylamino)purin-6-yl]sulfanylpropanenitrile

Systemtic Name: 3-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(2-methylpropylamino)purin-6-yl]sulfanylpropanenitrile Openeye Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(isobutylamino)purin-6-yl]sulfanylpropanenitrile CAS Name: 3-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(2-methylpropylamino)-6-purinyl]thio]propanenitrile IUPAC Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-methylpropylamino)purin-6-yl]sulfanylpropanenitrile Traditional Name: 3-[[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-(isobutylamino)purin-6-yl]thio]propionitrile Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(C(=N1)SCCC#N)N=CN2C3CC(C(O3)CO)O

Isomeric SMILES

CC(C)CNC1=NC2=C(C(=N1)SCCC#N)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C17H24N6O3S/c1-10(2)7-19-17-21-15-14(16(22-17)27-5-3-4-18)20-9-23(15)13-6-11(25)12(8-24)26-13/h9-13,24-25H,3,5-8H2,1-2H3,(H,19,21,22)/t11-,12+,13+/m0/s1