3-[(3-chlorophenyl)methyl]-1,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 3-[(3-chlorophenyl)methyl]-1,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 3-[(3-chlorophenyl)methyl]-1,9-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-[(3-chlorophenyl)methyl]-1,9-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 3-[(3-chlorophenyl)methyl]-1,9-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 3-(3-chlorobenzyl)-1,9-dimethyl-8-(4-methylpiperidino)xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)N(C(=O)N(C3=O)C)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)N(C(=O)N(C3=O)C)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H24ClN5O2/c1-13-7-9-25(10-8-13)19-22-16-17(23(19)2)26(20(28)24(3)18(16)27)12-14-5-4-6-15(21)11-14/h4-6,11,13H,7-10,12H2,1-3H3