(E)-but-2-enedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: fumaric acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: (E)-2-butenedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-1-imidazolyl]propoxy]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonyliminoimidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: fumaric acid; 1-[2-[3-[(2E)-2-mesylimino-3-methyl-4-imidazolin-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C19H25F3N8O7S MolecularWeight: 566.51141

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=NS(=O)(=O)C)CCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN\1C=CN(/C1=N/S(=O)(=O)C)CCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21F3N8O3S.C4H4O4/c1-25-7-8-26(14(25)24-30(2,27)28)6-3-9-29-13-20-5-4-11(23-13)22-12(19)21-10-15(16,17)18;5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-10H2,1-2H3,(H3,19,20,21,22,23);1-2H,(H,5,6)(H,7,8)/b24-14+;2-1+