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

Systemtic Name: 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)triazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C23H23FN6O MolecularWeight: 418.466723

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

COCCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H23FN6O/c1-31-16-15-30-22(21(28-29-30)18-7-9-19(24)10-8-18)20-12-14-26-23(27-20)25-13-11-17-5-3-2-4-6-17/h2-10,12,14H,11,13,15-16H2,1H3,(H,25,26,27)