N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-6-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-6-morpholin-4-yl-pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-6-morpholino-pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-6-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-fluorophenyl)-6-morpholino-pyrimidin-2-yl]amine Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=C2)C3=CC=C(C=C3)F)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=C2)C3=CC=C(C=C3)F)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19FN4O3/c22-15-3-1-14(2-4-15)17-12-20(26-7-9-27-10-8-26)25-21(24-17)23-16-5-6-18-19(11-16)29-13-28-18/h1-6,11-12H,7-10,13H2,(H,23,24,25)