1,3-dimethyl-7-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methyl-1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methyl-1-piperidinyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methylpiperidino)propyl]-1,3-dimethyl-xanthine Formula: C16H25N5O3 MolecularWeight: 335.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C16H25N5O3/c1-11-4-6-20(7-5-11)8-12(22)9-21-10-17-14-13(21)15(23)19(3)16(24)18(14)2/h10-12,22H,4-9H2,1-3H3