CAS Registry Number: 289042-11-1

Name:

5-​Pyrimidinecarboxylic acid, 4-​(4-​fluorophenyl)​-​6-​(1-​methylethyl)​-​2-​[methyl(methylsulfon​yl)​amino]​-​, methyl ester
4-​(4-​Fluorophenyl)​-​6-​isopropyl-​2-​[(methanesulfonyl)​methylamino]​pyrimidine-​5-​carboxylic acid methyl ester; Methyl 4-​(4-​fluorophenyl)​-​6-​isopropyl-​2-​[N-​methyl-​N-​(methylsulfonyl)​amino]​pyrimidine-​5-​carboxylate 

Chemical Formula: C17H20FN3O4S
Exact Mass: 381.12
Molecular Weight: 381.42
m/z: 381.12 (100.0%), 382.12 (19.6%), 383.11 (4.5%), 383.12 (2.8%), 382.11 (1.1%), 384.12 (1.0%)
Elemental Analysis: C, 53.53; H, 5.29; F, 4.98; N, 11.02; O, 16.78; S, 8.41

InChI: InChI=1S/C17H20FN3O4S/c1-10(2)14-13(16(22)25-4)15(11-6-8-12(18)9-7-11)20-17(19-14)21(3)26(5,23)24/h6-10H,1-5H3
InChIKey: BYVHIGJQQZGFPU-UHFFFAOYSA-N
Canonical SMILES : CC(C)C1=NC(=NC(=C1C(=O)OC)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

Specification

98%

1. (1) He, Wei; Acta Crystallographica, Section E: Structure Reports Online 2008, V64(6), Po1126, o1126/1-o1126/9 CAPLUS