5-chloranyl-N-(2,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H18ClN3O3S/c1-26-14-8-9-16(17(10-14)27-2)23-19(25)18-15(21)11-22-20(24-18)28-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25)