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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C23H31N5O2 MolecularWeight: 409.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H31N5O2/c1-4-18-12-8-9-14-27(18)16-19-24-21-20(22(29)26(3)23(30)25(21)2)28(19)15-13-17-10-6-5-7-11-17/h5-7,10-11,18H,4,8-9,12-16H2,1-3H3/t18-/m0/s1