N4,N6-bis[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4,N6-bis[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4,N6-bis[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4,N6-bis[[4-(methylthio)phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N,6-N-bis[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N,N'-bis[4-(methylthio)benzyl]pyrimidine-4,6-dicarboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H22N4O2S2/c1-29-17-7-3-15(4-8-17)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-16-5-9-18(30-2)10-6-16/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)