[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylamino] 2-chloranylbenzenesulfinate

Systemtic Name: [[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylamino] 2-chloranylbenzenesulfinate Openeye Name: [[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylamino] 2-chlorobenzenesulfinate CAS Name: 2-chlorobenzenesulfinic acid [[[[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]amino]-oxomethyl]amino] ester IUPAC Name: [[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylamino] 2-chlorobenzenesulfinate Traditional Name: 2-chlorobenzenesulfinic acid [[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylamino] ester Formula: C13H10ClF3N4O4S MolecularWeight: 410.75611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NOS(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NOS(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H10ClF3N4O4S/c1-24-10-6-9(13(15,16)17)18-11(19-10)20-12(22)21-25-26(23)8-5-3-2-4-7(8)14/h2-6H,1H3,(H2,18,19,20,21,22)