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

Systemtic Name: 3-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]propanenitrile Openeye Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanenitrile CAS Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanenitrile IUPAC Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanenitrile Traditional Name: 3-(2,6-diketo-3-propyl-7H-purin-1-yl)propionitrile Formula: C11H13N5O2 MolecularWeight: 247.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC#N)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC#N)NC=N2

InChI

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