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

Systemtic Name: 1,3,7-trimethyl-8-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]purine-2,6-dione Traditional Name: 8-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methyl]-1,3,7-trimethyl-xanthine Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H20N8O4/c1-20-8(18-12-10(20)14(26)24(5)16(28)22(12)3)7-9-19-13-11(21(9)2)15(27)25(6)17(29)23(13)4/h7H2,1-6H3