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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN6O2/c1-28-22-21(23(32)27-24(28)33)31(15-17-7-5-6-10-19(17)25)20(26-22)16-29-11-13-30(14-12-29)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,27,32,33)