1-[2,6-bis(fluoranyl)phenyl]-3-[(3E)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; methanesulfonic acid

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-3-[(3E)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; methanesulfonic acid Openeye Name: 1-(2,6-difluorophenyl)-3-[(3E)-3-[5-(morpholinomethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; methanesulfonic acid CAS Name: 1-(2,6-difluorophenyl)-3-[(3E)-3-[5-(4-morpholinylmethyl)-2-benzimidazolylidene]-1,2-dihydropyrazol-4-yl]urea; methanesulfonic acid IUPAC Name: 1-(2,6-difluorophenyl)-3-[(3E)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; methanesulfonic acid Traditional Name: 1-(2,6-difluorophenyl)-3-[(3E)-3-[5-(morpholinomethyl)benzimidazol-2-ylidene]-3-pyrazolin-4-yl]urea; mesylic acid Formula: C23H25F2N7O5S MolecularWeight: 549.550306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCCN1CC2=CC3=NC(=C4C(=CNN4)NC(=O)NC5=C(C=CC=C5F)F)N=C3C=C2

Isomeric SMILES

CS(=O)(=O)O.C1COCCN1CC2=CC3=N/C(=C/4\C(=CNN4)NC(=O)NC5=C(C=CC=C5F)F)/N=C3C=C2

InChI

InChI=1S/C22H21F2N7O2.CH4O3S/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31;1-5(2,3)4/h1-5,10-11,25,30H,6-9,12H2,(H2,28,29,32);1H3,(H,2,3,4)/b21-20+;