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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H35ClN6O2/c1-4-5-6-7-8-12-32-21(27-23-22(32)24(33)29(3)25(34)28(23)2)18-30-13-15-31(16-14-30)20-11-9-10-19(26)17-20/h9-11,17H,4-8,12-16,18H2,1-3H3