4-(3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLAZO)-N-(4-METHYL-PYRIMIDIN-2-YL)-BENZENESULFONAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19N7O3S
Molecular Weight	449.486
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLAZO)-N-(4-METHYL-PYRIMIDIN-2-YL)-BENZENESULFONAMIDE

Structure Search

SMILES

CC1=NN(C(O)=C1\N=N\C2=CC=C(C=C2)S(=O)(=O)NC3=NC(C)=CC=N3)C4=CC=CC=C4

InChI

InChIKey=XKOQUTAKPYDKCE-OCOZRVBESA-N

InChI=1S/C21H19N7O3S/c1-14-12-13-22-21(23-14)27-32(30,31)18-10-8-16(9-11-18)24-25-19-15(2)26-28(20(19)29)17-6-4-3-5-7-17/h3-13,29H,1-2H3,(H,22,23,27)/b25-24+

HIDE SMILES / InChI

Molecular Formula	C21H19N7O3S
Molecular Weight	449.486
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:50:02 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:02 GMT 2023`
Record UNII	AON4D8YCCW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-(3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLAZO)-N-(4-METHYL-PYRIMIDIN-2-YL)-BENZENESULFONAMIDE

Systematic Name

English

NSC-114418

Code

English

Code System Code Type Description

NSC

114418

Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023

PRIMARY

CAS

78345-41-2

Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023

ALTERNATIVE

CAS

29821-99-6

Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023

PRIMARY

FDA UNII

AON4D8YCCW

Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023

PRIMARY