N4-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Systemtic Name: N4-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Openeye Name: N4-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine CAS Name: N4-methyl-7-[2-(1-pyrrolidinyl)-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 4-N-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Traditional Name: [2-amino-7-[2-pyrrolidino-6-(trifluoromethyl)phenyl]quinazolin-4-yl]-methyl-amine Formula: C20H20F3N5 MolecularWeight: 387.40151

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3N4CCCC4)C(F)(F)F)N

Isomeric SMILES

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3N4CCCC4)C(F)(F)F)N

InChI

InChI=1S/C20H20F3N5/c1-25-18-13-8-7-12(11-15(13)26-19(24)27-18)17-14(20(21,22)23)5-4-6-16(17)28-9-2-3-10-28/h4-8,11H,2-3,9-10H2,1H3,(H3,24,25,26,27)