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

Systemtic Name: 4-butoxy-N-[2-[(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]ethyl]benzamide Openeye Name: 4-butoxy-N-[2-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]ethyl]benzamide CAS Name: 4-butoxy-N-[2-[[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]amino]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide Traditional Name: 4-butoxy-N-[2-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]ethyl]benzamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC(=C2)N3CCOCC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC(=C2)N3CCOCC3)C

InChI

InChI=1S/C22H31N5O3/c1-3-4-13-30-19-7-5-18(6-8-19)22(28)24-10-9-23-20-16-21(26-17(2)25-20)27-11-14-29-15-12-27/h5-8,16H,3-4,9-15H2,1-2H3,(H,24,28)(H,23,25,26)