N-(4-butylphenyl)-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(4-butylphenyl)-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(4-butylphenyl)-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(4-butylphenyl)-3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(4-butylphenyl)-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(4-butylphenyl)-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)N(C)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)N(C)C4=CC=CC(=C4)C

InChI

InChI=1S/C29H31N5O/c1-4-5-9-22-13-15-24(16-14-22)33-29(35)23-10-7-11-25(18-23)32-27-19-28(31-20-30-27)34(3)26-12-6-8-21(2)17-26/h6-8,10-20H,4-5,9H2,1-3H3,(H,33,35)(H,30,31,32)