Chemical Component Summary

NameN-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide
IdentifiersN-methyl-1-[3-(methylsulfonylamino)-2,4-bis(oxidanylidene)-7-(trifluoromethyl)-1H-quinazolin-6-yl]imidazole-4-carboxamide
FormulaC15 H13 F3 N6 O5 S
Molecular Weight446.361
TypeNON-POLYMER
Isomeric SMILESCNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C
InChIInChI=1S/C15H13F3N6O5S/c1-19-12(25)10-5-23(6-20-10)11-3-7-9(4-8(11)15(16,17)18)21-14(27)24(13(7)26)22-30(2,28)29/h3-6,22H,1-2H3,(H,19,25)(H,21,27)
InChIKeyHFRCANFHOYZAQE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 54759161
ChEMBL CHEMBL1940324