RefChem:1097531

4-[(E)-3-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)phenyl]benzamide;bis(4-methylbenzenesulfonic acid)

Also Known As: Pyrimidinium, 2,4-diamino-5-(p-(p-((p-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)carbamoyl)cinnamamido)phenyl)-1-methyl-, di-p-toluenesulfonate|4-[(E)-3-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)phenyl]benzamide; 4-methylbenzenesulfonic acid

Molecular Formula	C46H46N10O8S2
Molecular Weight	930.2941 g/mol
LogP	5.99858
Topological Polar Surface Area	302.32 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	930.2941
Monoisotopic Mass	930.2941
Heavy Atoms	66
Complexity	3173.3767

Chemical Identifiers

CAS Number	68797-89-7
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)C