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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-8-piperidino-xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C19H22ClN5O2/c1-22-15-16(21-18(22)24-10-6-3-7-11-24)23(2)19(27)25(17(15)26)12-13-8-4-5-9-14(13)20/h4-5,8-9H,3,6-7,10-12H2,1-2H3