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

Systemtic Name: ethanoic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine Openeye Name: acetic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-amine CAS Name: acetic acid; 5-[2-[2-(1-imidazolyl)ethoxy]phenyl]-4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: acetic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine Traditional Name: acetic acid; [5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-yl]amine Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5OS.C2H4O2/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;1-2(3)4/h1-8,11-13H,9-10H2,(H2,20,22,23);1H3,(H,3,4)