2-[4-(2-fluorophenyl)piperazin-1-yl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-benzyloxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N4,N4-dimethyl-pyrimidine-4,6-diamine CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-benzoxyanilino)-2-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]-dimethyl-amine Formula: C29H31FN6O MolecularWeight: 498.594443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C29H31FN6O/c1-34(2)28-20-27(31-23-11-8-12-24(19-23)37-21-22-9-4-3-5-10-22)32-29(33-28)36-17-15-35(16-18-36)26-14-7-6-13-25(26)30/h3-14,19-20H,15-18,21H2,1-2H3,(H,31,32,33)