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

Systemtic Name: 4-[3-(2-azanylethyl)-5-(4-fluorophenyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[3-(2-aminoethyl)-5-(4-fluorophenyl)triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[3-(2-aminoethyl)-5-(4-fluorophenyl)-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[3-(2-aminoethyl)-5-(4-fluorophenyl)triazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[3-(2-aminoethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C22H22FN7 MolecularWeight: 403.455383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)C3=C(N=NN3CCN)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)C3=C(N=NN3CCN)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN7/c23-18-8-6-17(7-9-18)20-21(30(15-12-24)29-28-20)19-11-14-26-22(27-19)25-13-10-16-4-2-1-3-5-16/h1-9,11,14H,10,12-13,15,24H2,(H,25,26,27)