1,3,7-trimethyl-8-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]butyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]butyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)butyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)butyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)butyl]purine-2,6-dione Traditional Name: 8-[4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)butyl]-1,3,7-trimethyl-xanthine Formula: C20H26N8O4 MolecularWeight: 442.47164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H26N8O4/c1-23-11(21-15-13(23)17(29)27(5)19(31)25(15)3)9-7-8-10-12-22-16-14(24(12)2)18(30)28(6)20(32)26(16)4/h7-10H2,1-6H3