9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine

Systemtic Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine Openeye Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine CAS Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-[4-(2-pyrimidinyl)-1-piperazinyl]purine IUPAC Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine Traditional Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-[4-(2-pyrimidyl)piperazino]purine Formula: C25H19Cl3N8 MolecularWeight: 537.83096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl)C6=NC=CC=N6

InChI

InChI=1S/C25H19Cl3N8/c26-16-2-5-18(6-3-16)36-22(19-7-4-17(27)14-20(19)28)33-21-23(31-15-32-24(21)36)34-10-12-35(13-11-34)25-29-8-1-9-30-25/h1-9,14-15H,10-13H2