CAS Registry Number: 91719-61-8

Name:

4-​Pyrimidinamine, 2-​(methylthio)​-​N-​(phenylmethyl)​-
Pyrimidine, 4-​(benzylamino)​-​2-​(methylthio)​- (7CI) 

Chemical Formula: C12H13N3S
Exact Mass: 231.08
Molecular Weight: 231.32
m/z: 231.08 (100.0%), 232.09 (13.1%), 233.08 (4.7%), 232.08 (1.9%)
Elemental Analysis: C, 62.31; H, 5.66; N, 18.17; S, 13.86

InChI: InChI=1S/C12H13N3S/c1-16-12-13-8-7-11(15-12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)
InChIKey: XKXIAFTYXCCCQG-UHFFFAOYSA-N
Canonical SMILES : CSC1=NC=CC(=N1)NCC2=CC=CC=C2

Specification

98%

Organic Letters (2011), 13(23), 6232-6235. 

Journal of Chemical Research, Synopses (1986), (11), 395.