7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-piperidin-1-yl-purine-6,8-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-piperidin-1-yl-purine-6,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-(1-piperidyl)purine-6,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-(1-piperidinyl)purine-6,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-piperidin-1-ylpurine-6,8-dione Traditional Name: 7-(4-chlorobenzyl)-1,9-dimethyl-2-piperidino-purine-6,8-quinone Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=N2)N3CCCCC3)C)N(C1=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C(=N2)N3CCCCC3)C)N(C1=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H22ClN5O2/c1-22-16-15(25(19(22)27)12-13-6-8-14(20)9-7-13)17(26)23(2)18(21-16)24-10-4-3-5-11-24/h6-9H,3-5,10-12H2,1-2H3