4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(o-anisylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C31H32N8O2 MolecularWeight: 548.63818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C31H32N8O2/c1-41-26-15-9-8-12-24(26)20-32-28-27-29(39(22-33-27)21-23-10-4-2-5-11-23)36-30(35-28)37-16-18-38(19-17-37)31(40)34-25-13-6-3-7-14-25/h2-15,22H,16-21H2,1H3,(H,34,40)(H,32,35,36)