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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Cl)C

InChI

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