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Details

Stereochemistry RACEMIC
Molecular Formula C13H17N5
Molecular Weight 243.3076
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-0861

SMILES

CN1C=NC2=C(N[C@@H]3C[C@@H]4CC[C@H]3C4)N=CN=C12

InChI

InChIKey=MTQYIGCUBBMQCJ-KXUCPTDWSA-N
InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H17N5
Molecular Weight 243.3076
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:41:45 GMT 2023
Edited
by admin
on Fri Dec 15 15:41:45 GMT 2023
Record UNII
YCGMULHHH6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-0861
Code English
9H-PURIN-6-AMINE, N-(1R,2S,4S)-BICYCLO(2.2.1)HEPT-2-YL-9-METHYL-, REL-
Systematic Name English
9H-PURIN-6-AMINE, N-BICYCLO(2.2.1)HEPT-2-YL-9-METHYL-, ENDO-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
YCGMULHHH6
Created by admin on Fri Dec 15 15:41:45 GMT 2023 , Edited by admin on Fri Dec 15 15:41:45 GMT 2023
PRIMARY
PUBCHEM
126615
Created by admin on Fri Dec 15 15:41:45 GMT 2023 , Edited by admin on Fri Dec 15 15:41:45 GMT 2023
PRIMARY
CAS
121252-55-9
Created by admin on Fri Dec 15 15:41:45 GMT 2023 , Edited by admin on Fri Dec 15 15:41:45 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID50931173
Created by admin on Fri Dec 15 15:41:45 GMT 2023 , Edited by admin on Fri Dec 15 15:41:45 GMT 2023
PRIMARY
CAS
141696-90-4
Created by admin on Fri Dec 15 15:41:45 GMT 2023 , Edited by admin on Fri Dec 15 15:41:45 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY