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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N5O2
Molecular Weight 349.3865
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ETHYL-5-(3-NITRO-4-(PHENYLMETHYL)PHENYL)-2,4-PYRIMIDINEDIAMINE

SMILES

CCC1=C(C(N)=NC(N)=N1)C2=CC(=C(CC3=CC=CC=C3)C=C2)[N+]([O-])=O

InChI

InChIKey=AGEVNTXDTUYAHG-UHFFFAOYSA-N
InChI=1S/C19H19N5O2/c1-2-15-17(18(20)23-19(21)22-15)14-9-8-13(16(11-14)24(25)26)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H4,20,21,22,23)

HIDE SMILES / InChI

Molecular Formula C19H19N5O2
Molecular Weight 349.3865
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:04:59 GMT 2023
Edited
by admin
on Sat Dec 16 13:04:59 GMT 2023
Record UNII
ZWX6M6AF6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ETHYL-5-(3-NITRO-4-(PHENYLMETHYL)PHENYL)-2,4-PYRIMIDINEDIAMINE
Systematic Name English
NSC-382046
Code English
2,4-PYRIMIDINEDIAMINE, 6-ETHYL-5-(3-NITRO-4-(PHENYLMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50183170
Created by admin on Sat Dec 16 13:04:59 GMT 2023 , Edited by admin on Sat Dec 16 13:04:59 GMT 2023
PRIMARY
CAS
289636-44-8
Created by admin on Sat Dec 16 13:04:59 GMT 2023 , Edited by admin on Sat Dec 16 13:04:59 GMT 2023
PRIMARY
NSC
382046
Created by admin on Sat Dec 16 13:04:59 GMT 2023 , Edited by admin on Sat Dec 16 13:04:59 GMT 2023
PRIMARY
PUBCHEM
343093
Created by admin on Sat Dec 16 13:04:59 GMT 2023 , Edited by admin on Sat Dec 16 13:04:59 GMT 2023
PRIMARY
FDA UNII
ZWX6M6AF6L
Created by admin on Sat Dec 16 13:04:59 GMT 2023 , Edited by admin on Sat Dec 16 13:04:59 GMT 2023
PRIMARY