CAS Registry Number 16462-29-6
Name:
5-​Pyrimidinecarbonitri​le, 4-​amino-​2-​(ethylthio)​-
4-Amino-2-ethylsulfanylpyrimidine-5-carbonitrile

Chemical Formula: C7H8N4S
Exact Mass: 180.05
Molecular Weight: 180.23
m/z: 180.05 (100.0%), 181.05 (8.5%), 182.04 (4.5%), 181.04 (1.5%)

InChI: InChI=1S/C7H8N4S/c1-2-12-7-10-4-5(3-8)6(9)11-7/h4H,2H2,1H3,(H2,9,10,11)
InChIKey: CDCARNSWXSXOSR-UHFFFAOYSA-N
Canonical SMILES : CCSC1=NC=C(C(=N1)N)C#N

Specification

98%

1. (1) Suter, Hans; US 2698326 1954 CAPLUS
2. (2) Dornow, Alfred; Justus Liebigs Annalen der Chemie 1954, V588, P45-61 CAPLUS
3. (3) FR 1470072 1967 CAPLUS
4. (4) Huber, Wolfgang; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1938, V71B, P87-100 CAPLUS