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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C24H25ClN6O2 MolecularWeight: 464.9473

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN6O2/c1-27-21-20(22(32)28(2)24(27)33)31(16-17-8-6-7-11-19(17)25)23(26-21)30-14-12-29(13-15-30)18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3