7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazino-xanthine Formula: C24H25ClN6O3 MolecularWeight: 480.9467

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN6O3/c1-28-21-20(22(32)30(24(28)33)15-16-34-17-7-3-2-4-8-17)31(19-10-6-5-9-18(19)25)23(27-21)29-13-11-26-12-14-29/h2-10,26H,11-16H2,1H3