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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H29N5O2/c1-11(2)23-14(10-22-8-12(3)7-13(4)9-22)19-16-15(23)17(24)21(6)18(25)20(16)5/h11-13H,7-10H2,1-6H3/t12-,13-/m1/s1