1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-7-ethyl-3-methyl-8-piperidino-xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H24ClN5O2/c1-3-25-16-17(22-19(25)24-11-5-4-6-12-24)23(2)20(28)26(18(16)27)13-14-7-9-15(21)10-8-14/h7-10H,3-6,11-13H2,1-2H3