Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-, di-p-toluenesulfonate

1-N,4-N-bis[4-[(2-amino-1-ethylpyrimidin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

CAS: 20719-29-3

Molecular Formula	`C46H48N10O8S2`
Molecular Weight	933.1 g/mol
Topological Polar Surface Area	299.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	932.3098
Heavy Atoms	66
Complexity	1020.0

Chemical Identifiers

CAS Number	20719-29-3
SMILES	`CC[N+]1=C(N=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=NC(=[N+](C=C5)CC)N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]`
InChIKey	`COZHASXUPYEQIA-UHFFFAOYSA-N`

📖 Product Overview

Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-, di-p-toluenesulfonate (CAS: 20719-29-3) is a chemical compound with molecular formula C46H48N10O8S2 and molecular weight 933.1 g/mol. Its IUPAC systematic name is 1-N,4-N-bis[4-[(2-amino-1-ethylpyrimidin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate). Topological Polar Surface Area 299.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 10 Exact Mass 932.3098 Heavy Atoms 66 Complexity 1020.0 InChI Key: COZHASXUPYEQIA-UHFFFAOYSA-N. SMILES: CC[N+]1=C(N=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=NC(=[N+](C=C5)CC)N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].

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