2-[8-(4-azanyl-1,2,5-oxadiazol-3-yl)purin-9-yl]ethanenitrile

Systemtic Name: 2-[8-(4-azanyl-1,2,5-oxadiazol-3-yl)purin-9-yl]ethanenitrile Openeye Name: 2-[8-(4-amino-1,2,5-oxadiazol-3-yl)purin-9-yl]acetonitrile CAS Name: 2-[8-(4-amino-1,2,5-oxadiazol-3-yl)-9-purinyl]acetonitrile IUPAC Name: 2-[8-(4-amino-1,2,5-oxadiazol-3-yl)purin-9-yl]acetonitrile Traditional Name: 2-[8-(4-aminofurazan-3-yl)purin-9-yl]acetonitrile Formula: C9H6N8O MolecularWeight: 242.19694

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N(C(=N2)C3=NON=C3N)CC#N

Isomeric SMILES

C1=C2C(=NC=N1)N(C(=N2)C3=NON=C3N)CC#N

InChI

InChI=1S/C9H6N8O/c10-1-2-17-8-5(3-12-4-13-8)14-9(17)6-7(11)16-18-15-6/h3-4H,2H2,(H2,11,16)