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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20ClFN6O4S.C2H6O3S
Molecular Weight 605.059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE MONOETHANESULFONATE

SMILES

CCS(O)(=O)=O.NC1=NC(N)=C(CCCOC2=C(Cl)C=C(NC(=O)C3=CC=CC(=C3)S(F)(=O)=O)C=C2)C(N)=N1

InChI

InChIKey=PBVSJONUWIGRKU-UHFFFAOYSA-N
InChI=1S/C20H20ClFN6O4S.C2H6O3S/c21-15-10-12(26-19(29)11-3-1-4-13(9-11)33(22,30)31)6-7-16(15)32-8-2-5-14-17(23)27-20(25)28-18(14)24;1-2-6(3,4)5/h1,3-4,6-7,9-10H,2,5,8H2,(H,26,29)(H6,23,24,25,27,28);2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Approval Year

Name Type Language
M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE MONOETHANESULFONATE
Systematic Name English
NSC-114923
Code English
ETHANESULFONIC ACID, COMPD. WITH 3-(((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)AMINO)CARBONYL)BENZENESULFONYL FLUORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70945151
Created by admin on Sat Dec 16 12:57:03 GMT 2023 , Edited by admin on Sat Dec 16 12:57:03 GMT 2023
PRIMARY
NSC
114923
Created by admin on Sat Dec 16 12:57:03 GMT 2023 , Edited by admin on Sat Dec 16 12:57:03 GMT 2023
PRIMARY
CAS
22478-95-1
Created by admin on Sat Dec 16 12:57:03 GMT 2023 , Edited by admin on Sat Dec 16 12:57:03 GMT 2023
PRIMARY
FDA UNII
LR77ZH25N0
Created by admin on Sat Dec 16 12:57:03 GMT 2023 , Edited by admin on Sat Dec 16 12:57:03 GMT 2023
PRIMARY
PUBCHEM
271382
Created by admin on Sat Dec 16 12:57:03 GMT 2023 , Edited by admin on Sat Dec 16 12:57:03 GMT 2023
PRIMARY