1,3,7-trimethyl-8-[5-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]pentyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[5-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]pentyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[5-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)pentyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[5-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)pentyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)pentyl]purine-2,6-dione Traditional Name: 8-[5-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)pentyl]-1,3,7-trimethyl-xanthine Formula: C21H28N8O4 MolecularWeight: 456.49822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCCCC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H28N8O4/c1-24-12(22-16-14(24)18(30)28(5)20(32)26(16)3)10-8-7-9-11-13-23-17-15(25(13)2)19(31)29(6)21(33)27(17)4/h7-11H2,1-6H3