6-chloranyl-N4-(3-pyrrolidin-1-ylpropyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Systemtic Name: 6-chloranyl-N4-(3-pyrrolidin-1-ylpropyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Openeye Name: 6-chloro-N4-(3-pyrrolidin-1-ylpropyl)-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine CAS Name: 6-chloro-N4-[3-(1-pyrrolidinyl)propyl]-N2-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 6-chloro-4-N-(3-pyrrolidin-1-ylpropyl)-2-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Traditional Name: [6-chloro-4-(3-pyrrolidinopropylamino)quinazolin-2-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C22H23ClF3N5 MolecularWeight: 449.89973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H23ClF3N5/c23-16-6-9-19-18(14-16)20(27-10-3-13-31-11-1-2-12-31)30-21(29-19)28-17-7-4-15(5-8-17)22(24,25)26/h4-9,14H,1-3,10-13H2,(H2,27,28,29,30)