5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-p-anisyl-pyrimidine-4-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-26-16-9-7-14(8-10-16)11-22-19(25)18-17(21)12-23-20(24-18)27-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)