Pyrimidinium, 2,4-diamino-5-(p-(p-((p-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)carbamoyl)cinnamamido)phenyl)-1-methyl-, di-p-toluenesulfonate

Base Information

• Chemical Name: Pyrimidinium, 2,4-diamino-5-(p-(p-((p-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)carbamoyl)cinnamamido)phenyl)-1-methyl-, di-p-toluenesulfonate
• CAS No.: 68797-89-7
• Molecular Formula: C46H46N10O8S2
• Molecular Weight: 931.0496

Synonyms:68797-89-7;Pyrimidinium, 2,4-diamino-5-(p-(p-((p-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)carbamoyl)cinnamamido)phenyl)-1-methyl-, di-p-toluenesulfonate;C32H32N10O2.2C7H7O3S;LS-135750;C32-H32-N10-O2.2C7-H7-O3-S

Chemical Property of Pyrimidinium, 2,4-diamino-5-(p-(p-((p-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)carbamoyl)cinnamamido)phenyl)-1-methyl-, di-p-toluenesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 930.29415081
• Heavy Atom Count: 66
• Complexity: 1500

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)C
• Isomeric 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

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