3-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propanenitrile

Systemtic Name: 3-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]propanenitrile Openeye Name: 3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]propanenitrile CAS Name: 3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]propanenitrile IUPAC Name: 3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanenitrile Traditional Name: 3-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy]propionitrile 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)COCCC#N)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O4/c14-2-1-3-22-4-7-9(20)10(21)13(23-7)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)