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

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-(3-morpholinopropyl)benzamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4)N

InChI

InChI=1S/C25H31N7O3/c1-34-21-8-3-7-20(16-21)29-23-17-22(30-25(26)31-23)28-19-6-2-5-18(15-19)24(33)27-9-4-10-32-11-13-35-14-12-32/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,27,33)(H4,26,28,29,30,31)