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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanenitrile IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionitrile Formula: C10H11N5O2 MolecularWeight: 233.22664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N5O2/c1-6(4-11)15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5-6H,1-3H3