2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanidyl-pyrimidin-5-yl]ethanoate

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanidyl-pyrimidin-5-yl]ethanoate Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxido-pyrimidin-5-yl]acetate CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-methyl-6-oxido-5-pyrimidinyl]acetate IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidopyrimidin-5-yl]acetate Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-methyl-6-oxido-pyrimidin-5-yl]acetate Formula: C14H11ClN2O3S-2 MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)[O-]

InChI

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