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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18ClN5O3S
Molecular Weight 419.885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GCC-4401C FREE BASE

SMILES

ClC1=CC=C(S1)C(=O)NC[C@H]2CN(C(=O)O2)C3=CC=C(C=C3)N4CCNC=N4

InChI

InChIKey=ZFDKSINSDZTWFU-AWEZNQCLSA-N
InChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)21-9-14-10-23(18(26)27-14)12-1-3-13(4-2-12)24-8-7-20-11-22-24/h1-6,11,14H,7-10H2,(H,20,22)(H,21,25)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18ClN5O3S
Molecular Weight 419.885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:56:57 GMT 2023
Edited
by admin
on Sat Dec 16 01:56:57 GMT 2023
Record UNII
I636054KKA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GCC-4401C FREE BASE
Code English
2-THIOPHENECARBOXAMIDE, 5-CHLORO-N-(((5S)-3-(4-(5,6-DIHYDRO-1,2,4-TRIAZIN-1(2H)-YL)PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
1159610-29-3
Created by admin on Sat Dec 16 01:56:58 GMT 2023 , Edited by admin on Sat Dec 16 01:56:58 GMT 2023
PRIMARY
FDA UNII
I636054KKA
Created by admin on Sat Dec 16 01:56:58 GMT 2023 , Edited by admin on Sat Dec 16 01:56:58 GMT 2023
PRIMARY
PUBCHEM
44133137
Created by admin on Sat Dec 16 01:56:58 GMT 2023 , Edited by admin on Sat Dec 16 01:56:58 GMT 2023
PRIMARY
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