6-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]hexanenitrile

Systemtic Name: 6-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]hexanenitrile Openeye Name: 6-(1,3-dimethyl-2,6-dioxo-purin-7-yl)hexanenitrile CAS Name: 6-(1,3-dimethyl-2,6-dioxo-7-purinyl)hexanenitrile IUPAC Name: 6-(1,3-dimethyl-2,6-dioxopurin-7-yl)hexanenitrile Traditional Name: 6-(2,6-diketo-1,3-dimethyl-purin-7-yl)hexanenitrile Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC#N

InChI

InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(9-15-11)8-6-4-3-5-7-14/h9H,3-6,8H2,1-2H3