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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29ClN6O2/c1-3-4-5-6-10-29-18-19(26(2)22(31)25-20(18)30)24-21(29)28-13-11-27(12-14-28)17-9-7-8-16(23)15-17/h7-9,15H,3-6,10-14H2,1-2H3,(H,25,30,31)