3-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxypropanenitrile

Systemtic Name: 3-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxypropanenitrile Openeye Name: 3-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxypropanenitrile CAS Name: 3-[[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy]propanenitrile IUPAC Name: 3-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxypropanenitrile Traditional Name: 3-(2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl)oxypropionitrile Formula: C13H16N6O4 MolecularWeight: 320.30394

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)OCCC#N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)OCCC#N

InChI

InChI=1S/C13H16N6O4/c14-2-1-3-22-10-9(21)7(4-20)23-13(10)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1,3-4H2,(H2,15,16,17)