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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N3O
Molecular Weight 125.1286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLISOCYTOSINE

SMILES

CC1=CN=C(N)NC1=O

InChI

InChIKey=YKUFMYSNUQLIQS-UHFFFAOYSA-N
InChI=1S/C5H7N3O/c1-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)

HIDE SMILES / InChI

Molecular Formula C5H7N3O
Molecular Weight 125.1286
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 Tue Apr 01 19:52:38 GMT 2025
Edited
by admin
on Tue Apr 01 19:52:38 GMT 2025
Record UNII
9OC5QA5FKI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-60208
Preferred Name English
5-METHYLISOCYTOSINE
Systematic Name English
4(3H)-PYRIMIDINONE, 2-AMINO-5-METHYL-
Systematic Name English
2-AMINO-5-METHYLPYRIMIDIN-4-OL
Systematic Name English
4(1H)-PYRIMIDINONE, 2-AMINO-5-METHYL-
Systematic Name English
2-AMINO-5-METHYL-4(3H)-PYRIMIDINONE
Systematic Name English
2-AMINO-5-METHYL-4(1H)-PYRIMIDINONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60166732
Created by admin on Tue Apr 01 19:52:38 GMT 2025 , Edited by admin on Tue Apr 01 19:52:38 GMT 2025
PRIMARY
CAS
15981-91-6
Created by admin on Tue Apr 01 19:52:38 GMT 2025 , Edited by admin on Tue Apr 01 19:52:38 GMT 2025
PRIMARY
FDA UNII
9OC5QA5FKI
Created by admin on Tue Apr 01 19:52:38 GMT 2025 , Edited by admin on Tue Apr 01 19:52:38 GMT 2025
PRIMARY
PUBCHEM
85221
Created by admin on Tue Apr 01 19:52:38 GMT 2025 , Edited by admin on Tue Apr 01 19:52:38 GMT 2025
PRIMARY
NSC
60208
Created by admin on Tue Apr 01 19:52:38 GMT 2025 , Edited by admin on Tue Apr 01 19:52:38 GMT 2025
PRIMARY