2-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)pyrimidin-4-amine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)pyrimidin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)pyrimidin-4-amine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-4-pyrimidinamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)pyrimidin-4-amine Traditional Name: [2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-(4-fluorophenyl)amine Formula: C17H12FN3O2 MolecularWeight: 309.294483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=CC(=N3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=CC(=N3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C17H12FN3O2/c18-12-2-4-13(5-3-12)20-16-7-8-19-17(21-16)11-1-6-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,19,20,21)