2-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile

Systemtic Name: 2-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile Openeye Name: 2-(7-methyl-2,6-dioxo-purin-3-yl)hexanenitrile CAS Name: 2-(7-methyl-2,6-dioxo-3-purinyl)hexanenitrile IUPAC Name: 2-(7-methyl-2,6-dioxopurin-3-yl)hexanenitrile Traditional Name: 2-(2,6-diketo-7-methyl-purin-3-yl)hexanenitrile Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)N1C2=C(C(=O)NC1=O)N(C=N2)C

Isomeric SMILES

CCCCC(C#N)N1C2=C(C(=O)NC1=O)N(C=N2)C

InChI

InChI=1S/C12H15N5O2/c1-3-4-5-8(6-13)17-10-9(16(2)7-14-10)11(18)15-12(17)19/h7-8H,3-5H2,1-2H3,(H,15,18,19)