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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H31N5O2/c1-5-18-11-6-7-12-27(18)15-19-24-21-20(22(29)26(4)23(30)25(21)3)28(19)14-17-10-8-9-16(2)13-17/h8-10,13,18H,5-7,11-12,14-15H2,1-4H3/t18-/m0/s1