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

Systemtic Name: 8-[7-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]heptyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)heptyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[7-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)heptyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H28N8O4 MolecularWeight: 456.49822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H28N8O4/c1-26-16-14(18(30)28(3)20(26)32)22-12(24-16)10-8-6-5-7-9-11-13-23-15-17(25-13)27(2)21(33)29(4)19(15)31/h5-11H2,1-4H3,(H,22,24)(H,23,25)