[2-(2-imidazol-1-ylethoxy)phenyl] hydrogen sulfate; 4-thiophen-2-ylpyrimidin-2-amine

Systemtic Name: [2-(2-imidazol-1-ylethoxy)phenyl] hydrogen sulfate; 4-thiophen-2-ylpyrimidin-2-amine Openeye Name: [2-(2-imidazol-1-ylethoxy)phenyl] hydrogen sulfate; 4-(2-thienyl)pyrimidin-2-amine CAS Name: sulfuric acid [2-[2-(1-imidazolyl)ethoxy]phenyl] ester; 4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: [2-(2-imidazol-1-ylethoxy)phenyl] hydrogen sulfate; 4-thiophen-2-ylpyrimidin-2-amine Traditional Name: sulfuric acid [2-(2-imidazol-1-ylethoxy)phenyl] ester; [4-(2-thienyl)pyrimidin-2-yl]amine Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S.C8H7N3S/c14-19(15,16)18-11-4-2-1-3-10(11)17-8-7-13-6-5-12-9-13;9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-6,9H,7-8H2,(H,14,15,16);1-5H,(H2,9,10,11)