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

Systemtic Name: 5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]-N-p-anisyl-pyrimidine-4-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-14-5-3-4-6-16(14)13-28-21-24-12-18(22)19(25-21)20(26)23-11-15-7-9-17(27-2)10-8-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)