4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanenitrile CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanenitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile Traditional Name: 4-(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3