2-[[5-aminocarbonyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]amino]ethylazanium

Systemtic Name: 2-[[5-aminocarbonyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]amino]ethylazanium Openeye Name: 2-[[5-carbamoyl-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]ethylammonium CAS Name: 2-[[5-carbamoyl-4-[3-(trifluoromethyl)anilino]-2-pyrimidinyl]amino]ethylammonium IUPAC Name: 2-[[5-carbamoyl-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]ethylazanium Traditional Name: 2-[[5-carbamoyl-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]ethylammonium Formula: C14H16F3N6O+ MolecularWeight: 341.31165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCC[NH3+])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCC[NH3+])C(F)(F)F

InChI

InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)/p+1