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

Systemtic Name: 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[5-(4-fluorophenyl)-3-(methoxymethyl)triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[5-(4-fluorophenyl)-3-(methoxymethyl)triazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[5-(4-fluorophenyl)-3-(methoxymethyl)triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

COCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21FN6O/c1-30-15-29-21(20(27-28-29)17-7-9-18(23)10-8-17)19-12-14-25-22(26-19)24-13-11-16-5-3-2-4-6-16/h2-10,12,14H,11,13,15H2,1H3,(H,24,25,26)