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

Systemtic Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-yl-pyrazol-3-one Openeye Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholino-pyrazol-3-one CAS Name: 5-[2-[(3-aminophenyl)methylamino]-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-morpholinyl)-3-pyrazolone IUPAC Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one Traditional Name: 5-[2-[(3-aminobenzyl)amino]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)NCC4=CC(=CC=C4)N)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1N2CCOCC2)C3=NC(=NC=C3)NCC4=CC(=CC=C4)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN7O2/c1-31-24(34)22(18-5-7-19(26)8-6-18)23(33(31)32-11-13-35-14-12-32)21-9-10-28-25(30-21)29-16-17-3-2-4-20(27)15-17/h2-10,15H,11-14,16,27H2,1H3,(H,28,29,30)