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

Systemtic Name: 8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C27H31ClN6O2 MolecularWeight: 507.02704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C27H31ClN6O2/c1-19-10-11-21(28)17-22(19)33-15-13-32(14-16-33)18-23-29-25-24(26(35)30-27(36)31(25)2)34(23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16,18H2,1-2H3,(H,30,35,36)