7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(4-fluorophenyl)-8-piperazino-xanthine Formula: C21H18ClFN6O2 MolecularWeight: 440.858023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C21H18ClFN6O2/c22-15-3-1-2-4-16(15)29-17-18(25-20(29)27-11-9-24-10-12-27)28(21(31)26-19(17)30)14-7-5-13(23)6-8-14/h1-8,24H,9-12H2,(H,26,30,31)