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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCN3C=NC4=C3N=CN=C4N

InChI

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