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

Systemtic Name: 7-[7-(6-aminopurin-9-yl)heptyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[7-(6-aminopurin-9-yl)heptyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[7-(6-aminopurin-9-yl)heptyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[7-(6-aminopurin-9-yl)heptyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(7-adenin-9-ylheptyl)-1,3-dimethyl-xanthine Formula: C19H25N9O2 MolecularWeight: 411.4609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C19H25N9O2/c1-25-17-14(18(29)26(2)19(25)30)27(12-24-17)8-6-4-3-5-7-9-28-11-23-13-15(20)21-10-22-16(13)28/h10-12H,3-9H2,1-2H3,(H2,20,21,22)