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

Systemtic Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-1,2,3-triazol-4-yl]-N-propan-2-yl-pyrimidin-2-amine Openeye Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-N-isopropyl-pyrimidin-2-amine CAS Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-4-triazolyl]-N-propan-2-yl-2-pyrimidinamine IUPAC Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-N-propan-2-ylpyrimidin-2-amine Traditional Name: [4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]-isopropyl-amine Formula: C18H21FN6O MolecularWeight: 356.397343

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC(C)C

Isomeric SMILES

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC(C)C

InChI

InChI=1S/C18H21FN6O/c1-4-26-11-25-17(15-9-10-20-18(22-15)21-12(2)3)16(23-24-25)13-5-7-14(19)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)