6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4,4-dimethyl-hexanenitrile

Systemtic Name: 6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4,4-dimethyl-hexanenitrile Openeye Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethyl-hexanenitrile CAS Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethylhexanenitrile IUPAC Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethylhexanenitrile Traditional Name: 6-(2-amino-6-keto-3H-purin-9-yl)-4,4-dimethyl-hexanenitrile Formula: C13H18N6O MolecularWeight: 274.32162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)(CCC#N)CCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H18N6O/c1-13(2,4-3-6-14)5-7-19-8-16-9-10(19)17-12(15)18-11(9)20/h8H,3-5,7H2,1-2H3,(H3,15,17,18,20)