2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]acetic acid Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C17H20ClN3O4S/c1-21(7-6-11-4-5-12(24-2)13(8-11)25-3)15-9-14(18)19-17(20-15)26-10-16(22)23/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,23)