3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-propylsulfinylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-propylsulfinylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-propylsulfinylpyrimidin-4-yl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(6-propylsulfinyl-4-pyrimidinyl)amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-propylsulfinylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(6-propylsulfinylpyrimidin-4-yl)amino]propionic acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=NC=NC(=C1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCS(=O)C1=NC=NC(=C1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C19H24N4O5S/c1-4-9-29(27)17-11-16(20-12-21-17)22-15(18(24)25)10-13-5-7-14(8-6-13)28-19(26)23(2)3/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,24,25)(H,20,21,22)