4-(methylamino)-N-(4-methylphenyl)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(methylamino)-N-(4-methylphenyl)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Openeye Name: 4-(methylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)-N-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 4-(methylamino)-N-(4-methylphenyl)-6-(methylthio)-2-[4-(methylthio)phenyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(methylamino)-N-(4-methylphenyl)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Traditional Name: 4-(methylamino)-6-(methylthio)-2-[4-(methylthio)phenyl]-N-(p-tolyl)pyrimidine-5-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NC

InChI

InChI=1S/C21H22N4OS2/c1-13-5-9-15(10-6-13)23-20(26)17-19(22-2)24-18(25-21(17)28-4)14-7-11-16(27-3)12-8-14/h5-12H,1-4H3,(H,23,26)(H,22,24,25)