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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-3-methyl-7-octyl-xanthine Formula: C24H33ClN6O2 MolecularWeight: 473.01082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H33ClN6O2/c1-3-4-5-6-7-8-12-31-20-21(28(2)24(33)27-22(20)32)26-23(31)30-15-13-29(14-16-30)19-11-9-10-18(25)17-19/h9-11,17H,3-8,12-16H2,1-2H3,(H,27,32,33)