3-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxypropanenitrile

Systemtic Name: 3-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxypropanenitrile Openeye Name: 3-[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxypropanenitrile CAS Name: 3-[[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy]propanenitrile IUPAC Name: 3-[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxypropanenitrile Traditional Name: 3-[2-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]oxypropionitrile Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)OCCC#N)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)OCCC#N)NC(=NC2=O)N

InChI

InChI=1S/C13H16N6O5/c14-2-1-3-23-9-8(21)6(4-20)24-12(9)19-5-16-7-10(19)17-13(15)18-11(7)22/h5-6,8-9,12,20-21H,1,3-4H2,(H3,15,17,18,22)