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

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-7-isobutyl-3-methyl-xanthine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C

InChI

InChI=1S/C21H27ClN6O2/c1-13(2)12-28-17-18(25(4)21(30)24-19(17)29)23-20(28)27-9-7-26(8-10-27)16-11-15(22)6-5-14(16)3/h5-6,11,13H,7-10,12H2,1-4H3,(H,24,29,30)