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

Systemtic Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorobenzyl)piperazino]-7-ethyl-3-methyl-xanthine Formula: C19H23ClN6O2 MolecularWeight: 402.87792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23ClN6O2/c1-3-26-15-16(23(2)19(28)22-17(15)27)21-18(26)25-9-7-24(8-10-25)12-13-5-4-6-14(20)11-13/h4-6,11H,3,7-10,12H2,1-2H3,(H,22,27,28)