8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-7-decyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-7-decyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-7-decyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-7-decyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-decyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-7-decyl-1,3-dimethyl-xanthine Formula: C29H43ClN6O2 MolecularWeight: 543.14372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C29H43ClN6O2/c1-5-6-7-8-9-10-11-12-15-36-25(31-27-26(36)28(37)33(4)29(38)32(27)3)21-34-16-18-35(19-17-34)24-20-23(30)14-13-22(24)2/h13-14,20H,5-12,15-19,21H2,1-4H3