2-[4-chloranyl-6-[(4-phenylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(4-phenylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(4-phenylanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]thio]acetic acid Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC(=NC(=N3)SCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC(=NC(=N3)SCC(=O)O)Cl

InChI

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