4-butoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzamide Openeye Name: 4-butoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzamide CAS Name: 4-butoxy-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzamide Traditional Name: 4-butoxy-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]benzamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

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