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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanenitrile CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanenitrile IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyronitrile Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C#N)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H13N5O2/c1-4-7(5-12)16-6-13-9-8(16)10(17)15(3)11(18)14(9)2/h6-7H,4H2,1-3H3