3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-cyclooctyl-benzamide

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-cyclooctyl-benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-cyclooctyl-benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-cyclooctylbenzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-cyclooctylbenzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-cyclooctyl-benzamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4)N

InChI

InChI=1S/C26H32N6O2/c1-34-22-14-8-13-21(16-22)29-24-17-23(31-26(27)32-24)28-20-12-7-9-18(15-20)25(33)30-19-10-5-3-2-4-6-11-19/h7-9,12-17,19H,2-6,10-11H2,1H3,(H,30,33)(H4,27,28,29,31,32)