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

Systemtic Name: 1,3-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-1,3-dimethyl-8-[(3S)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(3S)-3-methyl-1-piperidinyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-1,3-dimethyl-8-[(3S)-3-methylpiperidino]xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O2/c1-11(2)9-22-13-14(19(4)17(24)20(5)15(13)23)18-16(22)21-8-6-7-12(3)10-21/h11-12H,6-10H2,1-5H3/t12-/m0/s1