7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-phenethyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-methyl-8-(4-phenethylpiperazino)xanthine Formula: C25H26ClFN6O2 MolecularWeight: 496.964343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C25H26ClFN6O2/c1-30-22-21(23(34)29-25(30)35)33(16-18-19(26)8-5-9-20(18)27)24(28-22)32-14-12-31(13-15-32)11-10-17-6-3-2-4-7-17/h2-9H,10-16H2,1H3,(H,29,34,35)