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

Systemtic Name: 1,3,7-trimethyl-8-[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)propyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[3-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)propyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propyl]purine-2,6-dione Traditional Name: 8-[3-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)propyl]-1,3,7-trimethyl-xanthine Formula: C19H24N8O4 MolecularWeight: 428.44506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H24N8O4/c1-22-10(20-14-12(22)16(28)26(5)18(30)24(14)3)8-7-9-11-21-15-13(23(11)2)17(29)27(6)19(31)25(15)4/h7-9H2,1-6H3