8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-1,3-dimethyl-7-propyl-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC[C@@H]3CC

InChI

InChI=1S/C18H29N5O2/c1-5-10-23-14(12-22-11-8-7-9-13(22)6-2)19-16-15(23)17(24)21(4)18(25)20(16)3/h13H,5-12H2,1-4H3/t13-/m0/s1