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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H33N5O2/c1-4-19-14-8-9-15-28(19)17-20-25-22-21(23(30)27(3)24(31)26(22)2)29(20)16-10-13-18-11-6-5-7-12-18/h5-7,11-12,19H,4,8-10,13-17H2,1-3H3/t19-/m0/s1