8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C22H29N5O2/c1-14-7-6-8-17(10-14)13-27-18-19(24(4)22(29)25(5)20(18)28)23-21(27)26-11-15(2)9-16(3)12-26/h6-8,10,15-16H,9,11-13H2,1-5H3