(3-methoxyphenyl)methyl N'-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]carbamimidothioate

Systemtic Name: (3-methoxyphenyl)methyl N'-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]carbamimidothioate Openeye Name: 2-[(3-methoxyphenyl)methyl]-3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]isothiourea CAS Name: N'-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]carbamimidothioic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl N'-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]carbamimidothioate Traditional Name: 3-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]-2-m-anisyl-isothiourea Formula: C14H13F3N4O2S MolecularWeight: 358.33883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N

Isomeric SMILES

COC1=CC=CC(=C1)CS/C(=N\C2=NC(=O)C=C(N2)C(F)(F)F)/N

InChI

InChI=1S/C14H13F3N4O2S/c1-23-9-4-2-3-8(5-9)7-24-12(18)21-13-19-10(14(15,16)17)6-11(22)20-13/h2-6H,7H2,1H3,(H3,18,19,20,21,22)