3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propanenitrile

Systemtic Name: 3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propanenitrile Openeye Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]propanenitrile CAS Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]propanenitrile IUPAC Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanenitrile Traditional Name: 3-[[5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]propionitrile Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O5/c14-2-1-3-23-4-6-8(20)9(21)12(24-6)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)