5-chloranyl-2-methylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[(2,4,5-trimethoxyphenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(2,4,5-trimethoxybenzyl)pyrimidine-4-carboxamide Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=NC(=NC=C2Cl)SC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=NC(=NC=C2Cl)SC)OC)OC

InChI

InChI=1S/C16H18ClN3O4S/c1-22-11-6-13(24-3)12(23-2)5-9(11)7-18-15(21)14-10(17)8-19-16(20-14)25-4/h5-6,8H,7H2,1-4H3,(H,18,21)