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

Systemtic Name: 3-butyl-8-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[4-(2-chlorophenyl)piperazino]methyl]-7-ethyl-xanthine Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4Cl)CC

InChI

InChI=1S/C22H29ClN6O2/c1-3-5-10-29-20-19(21(30)25-22(29)31)28(4-2)18(24-20)15-26-11-13-27(14-12-26)17-9-7-6-8-16(17)23/h6-9H,3-5,10-15H2,1-2H3,(H,25,30,31)