7-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1-piperidyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(3,5-dimethylpiperidino)-1,3-dimethyl-xanthine Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O2/c1-13-9-14(2)11-26(10-13)20-23-18-17(19(28)25(4)21(29)24(18)3)27(20)12-15-5-7-16(22)8-6-15/h5-8,13-14H,9-12H2,1-4H3