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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5OS.C2H4O2/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;1-2(3)4/h1-9,12-14H,10-11H2,(H,21,22,23);1H3,(H,3,4)