7-[8-(6-aminopurin-9-yl)octyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[8-(6-aminopurin-9-yl)octyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[8-(6-aminopurin-9-yl)octyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[8-(6-aminopurin-9-yl)octyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[8-(6-aminopurin-9-yl)octyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(8-adenin-9-yloctyl)-1,3-dimethyl-xanthine Formula: C20H27N9O2 MolecularWeight: 425.48748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H27N9O2/c1-26-18-15(19(30)27(2)20(26)31)28(13-25-18)9-7-5-3-4-6-8-10-29-12-24-14-16(21)22-11-23-17(14)29/h11-13H,3-10H2,1-2H3,(H2,21,22,23)