2-(2-fluorophenyl)-N6-[(4-methylsulfanylphenyl)methyl]-N4-pyridin-4-yl-quinazoline-4,6-diamine

Systemtic Name: 2-(2-fluorophenyl)-N6-[(4-methylsulfanylphenyl)methyl]-N4-pyridin-4-yl-quinazoline-4,6-diamine Openeye Name: 2-(2-fluorophenyl)-N6-[(4-methylsulfanylphenyl)methyl]-N4-(4-pyridyl)quinazoline-4,6-diamine CAS Name: 2-(2-fluorophenyl)-N6-[[4-(methylthio)phenyl]methyl]-N4-pyridin-4-ylquinazoline-4,6-diamine IUPAC Name: 2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine Traditional Name: [2-(2-fluorophenyl)-6-[[4-(methylthio)benzyl]amino]quinazolin-4-yl]-(4-pyridyl)amine Formula: C27H22FN5S MolecularWeight: 467.560483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N=C3NC4=CC=NC=C4)C5=CC=CC=C5F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N=C3NC4=CC=NC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C27H22FN5S/c1-34-21-9-6-18(7-10-21)17-30-20-8-11-25-23(16-20)27(31-19-12-14-29-15-13-19)33-26(32-25)22-4-2-3-5-24(22)28/h2-16,30H,17H2,1H3,(H,29,31,32,33)