4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine

Systemtic Name: 4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)triazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[5-(4-fluorophenyl)-3-(2-phenoxyethyl)triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C28H25FN6O MolecularWeight: 480.536103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)C3=C(N=NN3CCOC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)C3=C(N=NN3CCOC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H25FN6O/c29-23-13-11-22(12-14-23)26-27(35(34-33-26)19-20-36-24-9-5-2-6-10-24)25-16-18-31-28(32-25)30-17-15-21-7-3-1-4-8-21/h1-14,16,18H,15,17,19-20H2,(H,30,31,32)