2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-methylsulfanylbenzoyl)amino]phenyl]propanoic acid CAS Name: 2-[4-chloro-6-(1-pyrrolidinyl)-5-pyrimidinyl]-3-[4-[[[4-(methylthio)phenyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-5-yl)-3-[4-[(4-methylsulfanylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-(4-chloro-6-pyrrolidino-pyrimidin-5-yl)-3-[4-[[4-(methylthio)benzoyl]amino]phenyl]propionic acid Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(C3=C(N=CN=C3Cl)N4CCCC4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(C3=C(N=CN=C3Cl)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H25ClN4O3S/c1-34-19-10-6-17(7-11-19)24(31)29-18-8-4-16(5-9-18)14-20(25(32)33)21-22(26)27-15-28-23(21)30-12-2-3-13-30/h4-11,15,20H,2-3,12-14H2,1H3,(H,29,31)(H,32,33)