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

Systemtic Name: 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-amine CAS Name: 2-hydroxybutanedioic acid; 5-[2-[2-(1-imidazolyl)ethoxy]phenyl]-4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: 2-hydroxybutanedioic acid; 5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine Traditional Name: [5-[2-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-yl]amine; malic acid Formula: C23H23N5O6S MolecularWeight: 497.52362

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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(C(C(=O)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)O)C(=O)O

InChI

InChI=1S/C19H17N5OS.C4H6O5/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;5-2(4(8)9)1-3(6)7/h1-8,11-13H,9-10H2,(H2,20,22,23);2,5H,1H2,(H,6,7)(H,8,9)