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

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

InChI

InChI=1S/C19H17N5OS.C4H6O5/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;5-2(4(8)9)1-3(6)7/h1-9,12-14H,10-11H2,(H,21,22,23);2,5H,1H2,(H,6,7)(H,8,9)