(E)-but-2-enedioic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine Openeye Name: fumaric acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-amine CAS Name: (E)-2-butenedioic acid; 5-[2-[2-(1-imidazolyl)ethoxy]phenyl]-4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine Traditional Name: fumaric acid; [5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-yl]amine Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CN=C(N=C2C3=CC=CS3)N)OCCN4C=CN=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CN=C(N=C2C3=CC=CS3)N)OCCN4C=CN=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H17N5OS.C4H4O4/c20-19-22-12-15(18(23-19)17-6-3-11-26-17)14-4-1-2-5-16(14)25-10-9-24-8-7-21-13-24;5-3(6)1-2-4(7)8/h1-8,11-13H,9-10H2,(H2,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+