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

Systemtic Name: 7-[6-(6-aminopurin-9-yl)hexyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[6-(6-aminopurin-9-yl)hexyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[6-(6-aminopurin-9-yl)hexyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[6-(6-aminopurin-9-yl)hexyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(6-adenin-9-ylhexyl)-1,3-dimethyl-xanthine Formula: C18H23N9O2 MolecularWeight: 397.43432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H23N9O2/c1-24-16-13(17(28)25(2)18(24)29)26(11-23-16)7-5-3-4-6-8-27-10-22-12-14(19)20-9-21-15(12)27/h9-11H,3-8H2,1-2H3,(H2,19,20,21)