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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13N5O4
Molecular Weight 292.2689
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VV-116 des-triisobutryl

SMILES

[2H]C1=C2N(N=CN=C2N)C(=C1)[C@@]3(O[C@H](CO)[C@@H](O)[C@H]3O)C#N

InChI

InChIKey=BRDWIEOJOWJCLU-FLHNBJMXSA-N
InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1/i1D

HIDE SMILES / InChI

Molecular Formula C12H13N5O4
Molecular Weight 292.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:50 GMT 2023
Record UNII
LG6V8A3GKN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VV-116 des-triisobutryl
Common Name English
(2R,3R,4S,5R)-2-(4-amino-5-deuterio-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
Systematic Name English
116-N1
Code English
Code System Code Type Description
PUBCHEM
157010883
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
PRIMARY
FDA UNII
LG6V8A3GKN
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
PRIMARY
CAS
2647440-98-8
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE