2-[7-ethanoyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanenitrile

Systemtic Name: 2-[7-ethanoyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanenitrile Openeye Name: 2-(7-acetyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)acetonitrile CAS Name: 2-(7-acetyl-1,3-dimethyl-2,6-dioxo-8-purinyl)acetonitrile IUPAC Name: 2-(7-acetyl-1,3-dimethyl-2,6-dioxopurin-8-yl)acetonitrile Traditional Name: 2-(7-acetyl-2,6-diketo-1,3-dimethyl-purin-8-yl)acetonitrile Formula: C11H11N5O3 MolecularWeight: 261.23674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O3/c1-6(17)16-7(4-5-12)13-9-8(16)10(18)15(3)11(19)14(9)2/h4H2,1-3H3