4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[6-[(2-chlorobenzyl)amino]-9-(4-nitrobenzyl)purin-2-yl]-N-ethyl-piperazine-1-carboxamide Formula: C26H28ClN9O3 MolecularWeight: 550.01202

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28ClN9O3/c1-2-28-26(37)34-13-11-33(12-14-34)25-31-23(29-15-19-5-3-4-6-21(19)27)22-24(32-25)35(17-30-22)16-18-7-9-20(10-8-18)36(38)39/h3-10,17H,2,11-16H2,1H3,(H,28,37)(H,29,31,32)