1-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-3-[3-(trifluoromethyl)phenyl]urea Formula: C14H12F3N7OS MolecularWeight: 383.35159

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C14H12F3N7OS/c1-26-11-9(6-18)10(21-12(19)22-11)23-24-13(25)20-8-4-2-3-7(5-8)14(15,16)17/h2-5H,1H3,(H2,20,24,25)(H3,19,21,22,23)