2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-4-(dimethoxymethyl)-5-pyrimidinecarboxylate IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Formula: C15H13Cl2N2O4S- MolecularWeight: 388.24572

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NC(=NC=C1C(=O)[O-])SCC2=C(C=CC=C2Cl)Cl)OC

Isomeric SMILES

COC(C1=NC(=NC=C1C(=O)[O-])SCC2=C(C=CC=C2Cl)Cl)OC

InChI

InChI=1S/C15H14Cl2N2O4S/c1-22-14(23-2)12-8(13(20)21)6-18-15(19-12)24-7-9-10(16)4-3-5-11(9)17/h3-6,14H,7H2,1-2H3,(H,20,21)/p-1