N4-(2-pyrrolidin-1-ylethyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Systemtic Name: N4-(2-pyrrolidin-1-ylethyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Openeye Name: N4-(2-pyrrolidin-1-ylethyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine CAS Name: N4-[2-(1-pyrrolidinyl)ethyl]-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 4-N-(2-pyrrolidin-1-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Traditional Name: 2-pyrrolidinoethyl-[2-[4-(trifluoromethyl)anilino]quinazolin-4-yl]amine Formula: C21H22F3N5 MolecularWeight: 401.42809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCNC2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N5/c22-21(23,24)15-7-9-16(10-8-15)26-20-27-18-6-2-1-5-17(18)19(28-20)25-11-14-29-12-3-4-13-29/h1-2,5-10H,3-4,11-14H2,(H2,25,26,27,28)