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

Systemtic Name: N-cyclooctyl-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-cyclooctyl-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-cyclooctyl-3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-cyclooctyl-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-cyclooctyl-3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]benzamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H33N5O/c1-20-10-8-15-24(16-20)32(2)26-18-25(28-19-29-26)30-23-14-9-11-21(17-23)27(33)31-22-12-6-4-3-5-7-13-22/h8-11,14-19,22H,3-7,12-13H2,1-2H3,(H,31,33)(H,28,29,30)