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

Systemtic Name: 4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C31H32N8O MolecularWeight: 532.63878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C31H32N8O/c40-31(34-26-14-8-3-9-15-26)38-20-18-37(19-21-38)30-35-28(32-17-16-24-10-4-1-5-11-24)27-29(36-30)39(23-33-27)22-25-12-6-2-7-13-25/h1-15,23H,16-22H2,(H,34,40)(H,32,35,36)