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

Systemtic Name: 8-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)propyl]-1,3,7-trimethyl-xanthine Formula: C18H22N8O4 MolecularWeight: 414.41848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H22N8O4/c1-22-10(21-14-12(22)16(28)26(5)18(30)24(14)3)8-6-7-9-19-11-13(20-9)23(2)17(29)25(4)15(11)27/h6-8H2,1-5H3,(H,19,20)