3-fluoranyl-N-[4-[(2-methylphenyl)amino]-2-(1-methylpiperidin-4-yl)oxy-pyrimidin-5-yl]-5-morpholin-4-yl-benzamide

Systemtic Name: 3-fluoranyl-N-[4-[(2-methylphenyl)amino]-2-(1-methylpiperidin-4-yl)oxy-pyrimidin-5-yl]-5-morpholin-4-yl-benzamide Openeye Name: 3-fluoro-N-[4-(2-methylanilino)-2-[(1-methyl-4-piperidyl)oxy]pyrimidin-5-yl]-5-morpholino-benzamide CAS Name: 3-fluoro-N-[4-(2-methylanilino)-2-[(1-methyl-4-piperidinyl)oxy]-5-pyrimidinyl]-5-(4-morpholinyl)benzamide IUPAC Name: 3-fluoro-N-[4-(2-methylanilino)-2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-morpholin-4-ylbenzamide Traditional Name: 3-fluoro-N-[2-[(1-methyl-4-piperidyl)oxy]-4-(o-toluidino)pyrimidin-5-yl]-5-morpholino-benzamide Formula: C28H33FN6O3 MolecularWeight: 520.598423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC=C2NC(=O)C3=CC(=CC(=C3)F)N4CCOCC4)OC5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC=C2NC(=O)C3=CC(=CC(=C3)F)N4CCOCC4)OC5CCN(CC5)C

InChI

InChI=1S/C28H33FN6O3/c1-19-5-3-4-6-24(19)31-26-25(18-30-28(33-26)38-23-7-9-34(2)10-8-23)32-27(36)20-15-21(29)17-22(16-20)35-11-13-37-14-12-35/h3-6,15-18,23H,7-14H2,1-2H3,(H,32,36)(H,30,31,33)