4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide

Systemtic Name: 4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide Openeye Name: 4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide CAS Name: 4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-purinyl]-N-methyl-2-piperazinecarboxamide IUPAC Name: 4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-methylpiperazine-2-carboxamide Traditional Name: 4-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide Formula: C23H20Cl3N7O MolecularWeight: 516.8102

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CNC(=O)C1CN(CCN1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H20Cl3N7O/c1-27-23(34)18-11-32(9-8-28-18)21-19-22(30-12-29-21)33(15-5-2-13(24)3-6-15)20(31-19)16-7-4-14(25)10-17(16)26/h2-7,10,12,18,28H,8-9,11H2,1H3,(H,27,34)