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

Systemtic Name: 1,3,7-trimethyl-8-[7-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]heptyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[7-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)heptyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[7-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)heptyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[7-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)heptyl]purine-2,6-dione Traditional Name: 8-[7-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)heptyl]-1,3,7-trimethyl-xanthine Formula: C23H32N8O4 MolecularWeight: 484.55138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H32N8O4/c1-26-14(24-18-16(26)20(32)30(5)22(34)28(18)3)12-10-8-7-9-11-13-15-25-19-17(27(15)2)21(33)31(6)23(35)29(19)4/h7-13H2,1-6H3