TRIAZINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H25ClN6O2.C2H6O3S
Molecular Weight	539.047
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCS(O)(=O)=O.CN(C)C(=O)C1=CC(COC2=CC=C(C=C2Cl)N3C(N)=NC(N)=NC3(C)C)=CC=C1

InChI

InChIKey=HKPVIFTWECXNPY-UHFFFAOYSA-N

InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula	C21H25ClN6O2
Molecular Weight	428.915
Charge	0
Count

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

Molecular Formula	C2H6O3S
Molecular Weight	110.132
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:15:49 GMT 2023` Edited by `admin` on `Fri Dec 15 15:15:49 GMT 2023`
Record UNII	DD99Y262WC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TRIAZINATE

Systematic Name

English

ETHANESULFONIC ACID, COMPD. WITH 3-((2-CHLORO-4-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)PHENOXY)METHYL)-N,N-DIMETHYLBENZAMIDE (1:1)

Common Name

English

NSC-139105

Code

English

BAKER'S ANTIFOL

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2153