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

Systemtic Name: 2-[(6-methoxy-2-methylsulfanyl-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(6-methoxy-2-methylsulfanyl-pyrimidin-4-yl)amino]acetic acid CAS Name: 2-[[6-methoxy-2-(methylthio)-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]acetic acid Traditional Name: 2-[benzyl-[6-methoxy-2-(methylthio)pyrimidin-4-yl]amino]acetic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N(CC2=CC=CC=C2)CC(=O)O)SC

Isomeric SMILES

COC1=NC(=NC(=C1)N(CC2=CC=CC=C2)CC(=O)O)SC

InChI

InChI=1S/C15H17N3O3S/c1-21-13-8-12(16-15(17-13)22-2)18(10-14(19)20)9-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,19,20)