1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidinyl]methyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-1,3-dimethyl-8-[[(3R)-3-methylpiperidino]methyl]xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)CC2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H29N5O2/c1-12(2)9-23-14(11-22-8-6-7-13(3)10-22)19-16-15(23)17(24)21(5)18(25)20(16)4/h12-13H,6-11H2,1-5H3/t13-/m1/s1