3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-thiophen-3-ylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-thiophen-3-ylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(3-thienyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(3-thiophenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-thiophen-3-ylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(3-thienyl)pyrimidin-4-yl]amino]propionic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2C3=CSC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2C3=CSC=C3

InChI

InChI=1S/C20H20N4O4S/c1-24(2)20(27)28-15-5-3-13(4-6-15)9-17(19(25)26)23-18-16(10-21-12-22-18)14-7-8-29-11-14/h3-8,10-12,17H,9H2,1-2H3,(H,25,26)(H,21,22,23)