3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-hexahydropyrimidin-1-yl]methyl]benzamidine CAS Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzenecarboximidamide IUPAC Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[2-keto-3-[4-(2-mesylphenyl)phenyl]hexahydropyrimidin-1-yl]methyl]benzamidine Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H26N4O3S/c1-33(31,32)23-9-3-2-8-22(23)19-10-12-21(13-11-19)29-15-5-14-28(25(29)30)17-18-6-4-7-20(16-18)24(26)27/h2-4,6-13,16H,5,14-15,17H2,1H3,(H3,26,27)