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

Systemtic Name: 1-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-methyl-amino]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-methyl-amino]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]-methylamino]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)-methylamino]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]-methyl-amino]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea Formula: C16H16F3N7OS MolecularWeight: 411.40475

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=NC(=N1)N)SC)C#N)N(C)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CN(C1=C(C(=NC(=N1)N)SC)C#N)N(C)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3N7OS/c1-25(12-11(8-20)13(28-3)24-14(21)23-12)26(2)15(27)22-10-6-4-5-9(7-10)16(17,18)19/h4-7H,1-3H3,(H,22,27)(H2,21,23,24)