8-[8-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]octyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[8-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]octyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[8-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)octyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C22H30N8O4 MolecularWeight: 470.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H30N8O4/c1-27-17-15(19(31)29(3)21(27)33)23-13(25-17)11-9-7-5-6-8-10-12-14-24-16-18(26-14)28(2)22(34)30(4)20(16)32/h5-12H2,1-4H3,(H,23,25)(H,24,26)