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

Systemtic Name: 8-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(3R,5R)-3,5-dimethylpiperidino]-3-methyl-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3C[C@@H](C[C@H](C3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N5O2/c1-5-6-7-8-23-14-15(21(4)18(25)20-16(14)24)19-17(23)22-10-12(2)9-13(3)11-22/h12-13H,5-11H2,1-4H3,(H,20,24,25)/t12-,13-/m1/s1