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

Systemtic Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidyl]methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidino]methyl]xanthine Formula: C17H27N5O3 MolecularWeight: 349.42798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O3/c1-12-6-5-7-21(10-12)11-13-18-15-14(22(13)8-9-25-4)16(23)20(3)17(24)19(15)2/h12H,5-11H2,1-4H3/t12-/m1/s1