N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-3-(trifluoromethyl)benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-3-(trifluoromethyl)benzamide Formula: C12H10F3N5O MolecularWeight: 297.23591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(N=CN=C2N)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(N=CN=C2N)N

InChI

InChI=1S/C12H10F3N5O/c13-12(14,15)7-3-1-2-6(4-7)11(21)20-8-9(16)18-5-19-10(8)17/h1-5H,(H,20,21)(H4,16,17,18,19)