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

Systemtic Name: N6-[2-azanyl-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-cyclohexylphenyl)quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-cyclohexylphenyl)quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(4-butylphenyl)-4-pyrimidinyl]-2-(4-cyclohexylphenyl)quinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-2-(4-cyclohexylphenyl)quinoline-4,6-diamine Traditional Name: [2-amino-6-(4-butylphenyl)pyrimidin-4-yl]-[4-amino-2-(4-cyclohexylphenyl)-6-quinolyl]amine Formula: C35H38N6 MolecularWeight: 542.71642

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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)C6CCCCC6

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)C6CCCCC6

InChI

InChI=1S/C35H38N6/c1-2-3-7-23-10-12-26(13-11-23)33-22-34(41-35(37)40-33)38-28-18-19-31-29(20-28)30(36)21-32(39-31)27-16-14-25(15-17-27)24-8-5-4-6-9-24/h10-22,24H,2-9H2,1H3,(H2,36,39)(H3,37,38,40,41)