4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(2-furylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-(2-furfuryl)amine Formula: C17H12F3N3O3 MolecularWeight: 363.29069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)NCC4=CC=CO4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)NCC4=CC=CO4)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)15-7-12(10-3-4-13-14(6-10)26-9-25-13)22-16(23-15)21-8-11-2-1-5-24-11/h1-7H,8-9H2,(H,21,22,23)