N4-methyl-7-[2-methylsulfonyl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Systemtic Name: N4-methyl-7-[2-methylsulfonyl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Openeye Name: N4-methyl-7-[2-methylsulfonyl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine CAS Name: N4-methyl-7-[2-methylsulfonyl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 4-N-methyl-7-[2-methylsulfonyl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Traditional Name: [2-amino-7-[2-mesyl-6-(trifluoromethyl)phenyl]quinazolin-4-yl]-methyl-amine Formula: C17H15F3N4O2S MolecularWeight: 396.38681

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3S(=O)(=O)C)C(F)(F)F)N

Isomeric SMILES

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3S(=O)(=O)C)C(F)(F)F)N

InChI

InChI=1S/C17H15F3N4O2S/c1-22-15-10-7-6-9(8-12(10)23-16(21)24-15)14-11(17(18,19)20)4-3-5-13(14)27(2,25)26/h3-8H,1-2H3,(H3,21,22,23,24)