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

Systemtic Name: 1,3,7-trimethyl-8-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methoxymethyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methoxymethyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methoxymethyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methoxymethyl]purine-2,6-dione Traditional Name: 8-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methoxymethyl]-1,3,7-trimethyl-xanthine Formula: C18H22N8O5 MolecularWeight: 430.41788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H22N8O5/c1-21-9(19-13-11(21)15(27)25(5)17(29)23(13)3)7-31-8-10-20-14-12(22(10)2)16(28)26(6)18(30)24(14)4/h7-8H2,1-6H3