U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N6O3.BrH
Molecular Weight 385.216
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-0902611 HYDROBROMIDE

SMILES

Br.C[C@H]1COCCN1C2=NC(C)=C(C(=N2)N3C=CN=C3)[N+]([O-])=O

InChI

InChIKey=LXVDPQWKFVMPPM-FVGYRXGTSA-N
InChI=1S/C13H16N6O3.BrH/c1-9-7-22-6-5-18(9)13-15-10(2)11(19(20)21)12(16-13)17-4-3-14-8-17;/h3-4,8-9H,5-7H2,1-2H3;1H/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H16N6O3
Molecular Weight 304.3045
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 11:28:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:25 GMT 2023
Record UNII
T4GAC6CE83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
T-0902611 HYDROBROMIDE
Code English
T-902611 HYDROBROMIDE
Code English
T-611 HYDROBROMIDE
Code English
2-(3S-3-METHYLMORPHOLINO)-4-(IMIDAZOL-1-YL)-6-METHYL-5-NITROPYRIMIDINE HYDROBROMIDE
Systematic Name English
(3S)-4-(4-IMIDAZOL-1-YL-6-METHYL-5-NITRO-PYRIMIDIN-2-YL)-3-METHYL-MORPHOLINE HYDROBROMIDE
Systematic Name English
MORPHOLINE, 4-(4-(1H-IMIDAZOL-1-YL)-6-METHYL-5-NITRO-2-PYRIMIDINYL)-3-METHYL-, HYDROBROMIDE (1:1), (3S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
137331958
Created by admin on Sat Dec 16 11:28:25 GMT 2023 , Edited by admin on Sat Dec 16 11:28:25 GMT 2023
PRIMARY
FDA UNII
T4GAC6CE83
Created by admin on Sat Dec 16 11:28:25 GMT 2023 , Edited by admin on Sat Dec 16 11:28:25 GMT 2023
PRIMARY
CAS
350607-79-3
Created by admin on Sat Dec 16 11:28:25 GMT 2023 , Edited by admin on Sat Dec 16 11:28:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Chemical synthesis of compound.