N6-[2-azanyl-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine

Systemtic Name: N6-[2-azanyl-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(4-butylphenyl)-4-pyrimidinyl]-2-(4-fluorophenyl)quinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine Traditional Name: [2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-[4-amino-2-(4-fluorophenyl)-6-quinolyl]amine Formula: C29H27FN6 MolecularWeight: 478.563283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN6/c1-2-3-4-18-5-7-19(8-6-18)27-17-28(36-29(32)35-27)33-22-13-14-25-23(15-22)24(31)16-26(34-25)20-9-11-21(30)12-10-20/h5-17H,2-4H2,1H3,(H2,31,34)(H3,32,33,35,36)