2-[5-[(4-chlorophenyl)methyl]-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[5-[(4-chlorophenyl)methyl]-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-4-methyl-6-oxido-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-6-oxido-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[5-[(4-chlorophenyl)methyl]-4-methyl-6-oxidopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-chlorobenzyl)-4-methyl-6-oxido-pyrimidin-2-yl]thio]acetate Formula: C14H11ClN2O3S-2 MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)[O-])[O-])CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)[O-])[O-])CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-8-11(6-9-2-4-10(15)5-3-9)13(20)17-14(16-8)21-7-12(18)19/h2-5H,6-7H2,1H3,(H,18,19)(H,16,17,20)/p-2