8-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[(3R,5R)-3,5-dimethylpiperidino]-7-hexyl-3-methyl-xanthine Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3C[C@@H](C[C@H](C3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H31N5O2/c1-5-6-7-8-9-24-15-16(22(4)19(26)21-17(15)25)20-18(24)23-11-13(2)10-14(3)12-23/h13-14H,5-12H2,1-4H3,(H,21,25,26)/t13-,14-/m1/s1