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

Systemtic Name: 4-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[5-(4-fluorophenyl)-3-(tetrahydrofuran-3-ylmethyl)triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[5-(4-fluorophenyl)-3-(3-oxolanylmethyl)-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)triazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[5-(4-fluorophenyl)-3-(tetrahydrofuran-3-ylmethyl)triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C25H25FN6O MolecularWeight: 444.504003

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1CN2C(=C(N=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NCCC5=CC=CC=C5

Isomeric SMILES

C1COCC1CN2C(=C(N=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H25FN6O/c26-21-8-6-20(7-9-21)23-24(32(31-30-23)16-19-12-15-33-17-19)22-11-14-28-25(29-22)27-13-10-18-4-2-1-3-5-18/h1-9,11,14,19H,10,12-13,15-17H2,(H,27,28,29)