CAS Registry Number: 4214-85-1
Name:

2-amino-6-methyl-5-nitropyrimidin-4(3H)-one

2-amino-6-methyl-5-nitro-1H-pyrimidin-4-one   

Chemical Formula: C5H6N4O3
Exact Mass: 170.04
Molecular Weight: 170.13
m/z: 170.04 (100.0%), 171.05 (5.6%), 171.04 (1.5%)

InChI
InChI=1S/C5H6N4O3/c1-2-3(9(11)12)4(10)8-5(6)7-2/h1H3,(H3,6,7,8,10)
InChI Key
PFTYCGMGNJVFIX-UHFFFAOYSA-N
Canonical SMILES
CC1=C(C(=O)N=C(N1)N)[N+](=O)[O-]

Specification

98%

U.S. Pat. Appl. Publ. (2009), US 20090124802 A1 20090514.

Bioorganic & Medicinal Chemistry (2016), 24(2), 226-231.