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

Systemtic Name: 2-[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]acetic acid Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

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