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

Systemtic Name: 6-[2-azanyl-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)-2H-quinoline-4,6-diamine Openeye Name: 6-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)-2H-quinoline-4,6-diamine CAS Name: 6-[2-amino-6-(4-butylphenyl)-4-pyrimidinyl]-2-(4-fluorophenyl)-2H-quinoline-4,6-diamine IUPAC Name: 6-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)-2H-quinoline-4,6-diamine Traditional Name: [4-amino-6-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)-2H-quinolin-6-yl]amine Formula: C29H29FN6 MolecularWeight: 480.579163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3(C=CC4=NC(C=C(C4=C3)N)C5=CC=C(C=C5)F)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3(C=CC4=NC(C=C(C4=C3)N)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C29H29FN6/c1-2-3-4-18-5-7-19(8-6-18)26-16-27(36-28(32)35-26)29(33)14-13-24-22(17-29)23(31)15-25(34-24)20-9-11-21(30)12-10-20/h5-17,25H,2-4,31,33H2,1H3,(H2,32,35,36)