(E)-but-2-enedioic acid; N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine Openeye Name: fumaric acid; N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-amine CAS Name: (E)-2-butenedioic acid; N-[3-[2-(1-imidazolyl)ethoxy]phenyl]-4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine Traditional Name: fumaric acid; [3-(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(=CC(=C1)OCCN2C=CN=C2)NC3=NC=CC(=N3)C4=CC=CS4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCN2C=CN=C2)NC3=NC=CC(=N3)C4=CC=CS4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H17N5OS.C4H4O4/c1-3-15(13-16(4-1)25-11-10-24-9-8-20-14-24)22-19-21-7-6-17(23-19)18-5-2-12-26-18;5-3(6)1-2-4(7)8/h1-9,12-14H,10-11H2,(H,21,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+