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

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide Formula: C25H25N7O2 MolecularWeight: 455.5117

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CN=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CN=CC=C4)N

InChI

InChI=1S/C25H25N7O2/c1-34-21-9-3-8-20(14-21)30-23-15-22(31-25(26)32-23)29-19-7-2-6-18(13-19)24(33)28-12-10-17-5-4-11-27-16-17/h2-9,11,13-16H,10,12H2,1H3,(H,28,33)(H4,26,29,30,31,32)