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

Systemtic Name: N-(4-fluorophenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[6-(phenethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(phenethylamino)purin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C31H31FN8O MolecularWeight: 550.629243

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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=C(C=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C31H31FN8O/c32-25-11-13-26(14-12-25)35-31(41)39-19-17-38(18-20-39)30-36-28(33-16-15-23-7-3-1-4-8-23)27-29(37-30)40(22-34-27)21-24-9-5-2-6-10-24/h1-14,22H,15-21H2,(H,35,41)(H,33,36,37)