2-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)amino]acetic acid CAS Name: 2-[[6-chloro-2-(methylthio)-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]acetic acid Traditional Name: 2-[benzyl-[6-chloro-2-(methylthio)pyrimidin-4-yl]amino]acetic acid Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)N(CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CSC1=NC(=CC(=N1)Cl)N(CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C14H14ClN3O2S/c1-21-14-16-11(15)7-12(17-14)18(9-13(19)20)8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,19,20)