TAB

ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER


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Chemical Component Summary

NameACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
Identifiers2-[[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]diazenyl-(phenylmethyl)amino]ethyl ethanoate
FormulaC23 H26 Cl N7 O2
Molecular Weight467.951
TypeNON-POLYMER
Isomeric SMILESCCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl
InChIInChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
InChIKeyQKBISNUGIKKCIM-QVIHXGFCSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count61
Aromatic Bond Count19