2-[[2-(4-chlorophenyl)-6-phenylsulfanyl-pyrimidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-6-phenylsulfanyl-pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)-6-phenylsulfanyl-pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[2-(4-chlorophenyl)-6-(phenylthio)-4-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-6-phenylsulfanylpyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-6-(phenylthio)pyrimidin-4-yl]amino]acetic acid Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=NC(=C2)NCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=NC(=C2)NCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O2S/c19-13-8-6-12(7-9-13)18-21-15(20-11-17(23)24)10-16(22-18)25-14-4-2-1-3-5-14/h1-10H,11H2,(H,23,24)(H,20,21,22)