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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-3-methyl-7-nonyl-xanthine Formula: C25H35ClN6O2 MolecularWeight: 487.0374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35ClN6O2/c1-3-4-5-6-7-8-9-13-32-21-22(29(2)25(34)28-23(21)33)27-24(32)31-16-14-30(15-17-31)20-12-10-11-19(26)18-20/h10-12,18H,3-9,13-17H2,1-2H3,(H,28,33,34)