5-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-1,2-diethyl-4-(4-fluorophenyl)pyrazol-3-one

Systemtic Name: 5-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-1,2-diethyl-4-(4-fluorophenyl)pyrazol-3-one Openeye Name: 5-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-1,2-diethyl-4-(4-fluorophenyl)pyrazol-3-one CAS Name: 5-[2-(1H-benzimidazol-2-ylamino)-4-pyrimidinyl]-1,2-diethyl-4-(4-fluorophenyl)-3-pyrazolone IUPAC Name: 5-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-1,2-diethyl-4-(4-fluorophenyl)pyrazol-3-one Traditional Name: 5-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-1,2-diethyl-4-(4-fluorophenyl)-3-pyrazolin-3-one Formula: C24H22FN7O MolecularWeight: 443.476183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1CC)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCN1C(=C(C(=O)N1CC)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H22FN7O/c1-3-31-21(20(22(33)32(31)4-2)15-9-11-16(25)12-10-15)19-13-14-26-23(29-19)30-24-27-17-7-5-6-8-18(17)28-24/h5-14H,3-4H2,1-2H3,(H2,26,27,28,29,30)