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

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-(3-oxidanylpropoxy)pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: fumaric acid; 1-[2-(3-hydroxypropoxy)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: (E)-2-butenedioic acid; 1-[2-(3-hydroxypropoxy)-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(3-hydroxypropoxy)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: fumaric acid; 1-[2-(3-hydroxypropoxy)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C14H18F3N5O6 MolecularWeight: 409.31783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)OCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)OCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14F3N5O2.C4H4O4/c11-10(12,13)6-16-8(14)17-7-2-3-15-9(18-7)20-5-1-4-19;5-3(6)1-2-4(7)8/h2-3,19H,1,4-6H2,(H3,14,15,16,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+