4-azanyl-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methyl-purin-6-yl]piperidine-4-carboxamide

Systemtic Name: 4-azanyl-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methyl-purin-6-yl]piperidine-4-carboxamide Openeye Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methyl-purin-6-yl]piperidine-4-carboxamide CAS Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methyl-6-purinyl]-4-piperidinecarboxamide IUPAC Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methylpurin-6-yl]piperidine-4-carboxamide Traditional Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-methyl-purin-6-yl]isonipecotamide Formula: C24H23Cl2N7O MolecularWeight: 496.39172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC(CC3)(C(=O)N)N)N=C(N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC(CC3)(C(=O)N)N)N=C(N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H23Cl2N7O/c1-14-29-21(32-12-10-24(28,11-13-32)23(27)34)19-22(30-14)33(16-8-6-15(25)7-9-16)20(31-19)17-4-2-3-5-18(17)26/h2-9H,10-13,28H2,1H3,(H2,27,34)