2-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethanenitrile

Systemtic Name: 2-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethanenitrile Openeye Name: 2-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)acetonitrile CAS Name: 2-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)acetonitrile IUPAC Name: 2-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)acetonitrile Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#N

InChI

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