5-chloranyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-26-17-9-8-15(11-14(17)10-13-6-4-3-5-7-13)23-19(25)18-16(21)12-22-20(24-18)27-2/h3-9,11-12H,10H2,1-2H3,(H,23,25)