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

Systemtic Name: 1,3,7-trimethyl-8-[8-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]octyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[8-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)octyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[8-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)octyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[8-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)octyl]purine-2,6-dione Traditional Name: 8-[8-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)octyl]-1,3,7-trimethyl-xanthine Formula: C24H34N8O4 MolecularWeight: 498.57796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C24H34N8O4/c1-27-15(25-19-17(27)21(33)31(5)23(35)29(19)3)13-11-9-7-8-10-12-14-16-26-20-18(28(16)2)22(34)32(6)24(36)30(20)4/h7-14H2,1-6H3