4-butoxy-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-butoxy-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-butoxy-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-butoxy-N-[4-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-butoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-butoxy-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCOCC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCOCC4)C

InChI

InChI=1S/C26H31N5O3/c1-3-4-15-34-23-11-5-20(6-12-23)25(32)28-21-7-9-22(10-8-21)29-26-27-19(2)18-24(30-26)31-13-16-33-17-14-31/h5-12,18H,3-4,13-17H2,1-2H3,(H,28,32)(H,27,29,30)