N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methyl-6-purinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[3,5-dimethyl-4-(9-methylpurin-6-yl)piperazino]acetamide Formula: C20H24ClN7O MolecularWeight: 413.90386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C20H24ClN7O/c1-13-8-27(10-17(29)25-16-7-5-4-6-15(16)21)9-14(2)28(13)20-18-19(22-11-23-20)26(3)12-24-18/h4-7,11-14H,8-10H2,1-3H3,(H,25,29)