(E)-but-2-enedioic acid; 1-[2-[4-(5-oxidanyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)butyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[4-(5-oxidanyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)butyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: fumaric acid; 1-[2-[4-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)butyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: (E)-2-butenedioic acid; 1-[2-[4-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)butyl]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[4-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)butyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: fumaric acid; 1-[2-[4-(5-hydroxy-2-keto-4-imidazolin-4-yl)butyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C18H22F3N7O6 MolecularWeight: 489.40579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)CCCCC2=C(NC(=O)N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)CCCCC2=C(NC(=O)N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18F3N7O2.C4H4O4/c15-14(16,17)7-20-12(18)23-10-5-6-19-9(22-10)4-2-1-3-8-11(25)24-13(26)21-8;5-3(6)1-2-4(7)8/h5-6,25H,1-4,7H2,(H2,21,24,26)(H3,18,19,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+