methyl 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-benzyl-6-[(2-chlorobenzyl)amino]purin-2-yl]piperazine-1-carboxylic acid methyl ester Formula: C25H26ClN7O2 MolecularWeight: 491.97264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C25H26ClN7O2/c1-35-25(34)32-13-11-31(12-14-32)24-29-22(27-15-19-9-5-6-10-20(19)26)21-23(30-24)33(17-28-21)16-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,27,29,30)