1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidyl]methyl]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[(3R)-3-methyl-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[[(3R)-3-methylpiperidino]methyl]xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O2/c1-15-7-9-17(10-8-15)13-27-18(14-26-11-5-6-16(2)12-26)23-20-19(27)21(28)25(4)22(29)24(20)3/h7-10,16H,5-6,11-14H2,1-4H3/t16-/m1/s1