5-[2-[(2-aminophenyl)-methyl-amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-yl-pyrazol-3-one

Systemtic Name: 5-[2-[(2-aminophenyl)-methyl-amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-yl-pyrazol-3-one Openeye Name: 5-[2-(2-amino-N-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholino-pyrazol-3-one CAS Name: 5-[2-(2-amino-N-methylanilino)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-morpholinyl)-3-pyrazolone IUPAC Name: 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one Traditional Name: 5-[2-(2-amino-N-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholino-3-pyrazolin-3-one Formula: C25H26FN7O2 MolecularWeight: 475.518043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1N2CCOCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4N)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1N2CCOCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4N)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN7O2/c1-30(21-6-4-3-5-19(21)27)25-28-12-11-20(29-25)23-22(17-7-9-18(26)10-8-17)24(34)31(2)33(23)32-13-15-35-16-14-32/h3-12H,13-16,27H2,1-2H3