4-[2-(2-imidazol-1-ylethoxy)phenoxy]-4-oxidanylidene-butanoic acid; 4-thiophen-2-ylpyrimidin-2-amine

Systemtic Name: 4-[2-(2-imidazol-1-ylethoxy)phenoxy]-4-oxidanylidene-butanoic acid; 4-thiophen-2-ylpyrimidin-2-amine Openeye Name: 4-[2-(2-imidazol-1-ylethoxy)phenoxy]-4-oxo-butanoic acid; 4-(2-thienyl)pyrimidin-2-amine CAS Name: 4-[2-[2-(1-imidazolyl)ethoxy]phenoxy]-4-oxobutanoic acid; 4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: 4-[2-(2-imidazol-1-ylethoxy)phenoxy]-4-oxobutanoic acid; 4-thiophen-2-ylpyrimidin-2-amine Traditional Name: 4-[2-(2-imidazol-1-ylethoxy)phenoxy]-4-keto-butyric acid; [4-(2-thienyl)pyrimidin-2-yl]amine Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCN2C=CN=C2)OC(=O)CCC(=O)O.C1=CSC(=C1)C2=NC(=NC=C2)N

Isomeric SMILES

C1=CC=C(C(=C1)OCCN2C=CN=C2)OC(=O)CCC(=O)O.C1=CSC(=C1)C2=NC(=NC=C2)N

InChI

InChI=1S/C15H16N2O5.C8H7N3S/c18-14(19)5-6-15(20)22-13-4-2-1-3-12(13)21-10-9-17-8-7-16-11-17;9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-4,7-8,11H,5-6,9-10H2,(H,18,19);1-5H,(H2,9,10,11)