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

Systemtic Name: N-(4-butylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Openeye Name: N-(4-butylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide CAS Name: N-(4-butylphenyl)-4-(methylamino)-6-(methylthio)-2-[4-(methylthio)phenyl]-5-pyrimidinecarboxamide IUPAC Name: N-(4-butylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Traditional Name: N-(4-butylphenyl)-4-(methylamino)-6-(methylthio)-2-[4-(methylthio)phenyl]pyrimidine-5-carboxamide Formula: C24H28N4OS2 MolecularWeight: 452.63532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NC

InChI

InChI=1S/C24H28N4OS2/c1-5-6-7-16-8-12-18(13-9-16)26-23(29)20-22(25-2)27-21(28-24(20)31-4)17-10-14-19(30-3)15-11-17/h8-15H,5-7H2,1-4H3,(H,26,29)(H,25,27,28)