2-[[4-[(3-amino-5-benzylsulfanyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-8-yl)methylamino]benzoyl]amino]pentanedioic acid

Modify Date: 2025-08-24 09:26:24

2-[[4-[(3-amino-5-benzylsulfanyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-8-yl)methylamino]benzoyl]amino]pentanedioic acid structure	Common Name	2-[[4-[(3-amino-5-benzylsulfanyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-8-yl)methylamino]benzoyl]amino]pentanedioic acid
	CAS Number	55429-00-0	Molecular Weight	587.67200
	Density	1.55g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₄KN₈O₅S+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	potassium,2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioic acid

Density	1.55g/cm3
Molecular Formula	C₂₅H₂₄KN₈O₅S+
Molecular Weight	587.67200
Exact Mass	587.12300
PSA	231.50000
LogP	3.39430
Index of Refraction	1.736
InChIKey	KDMPVTLKGZYNSN-UHFFFAOYSA-N
SMILES	Nc1nc(SCc2ccccc2)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nnc2n1.[K+]

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