4-butoxy-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-butoxy-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-butoxy-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-butoxy-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-butoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-butoxy-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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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)N4CCCC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCCC4)C

InChI

InChI=1S/C26H31N5O2/c1-3-4-17-33-23-13-7-20(8-14-23)25(32)28-21-9-11-22(12-10-21)29-26-27-19(2)18-24(30-26)31-15-5-6-16-31/h7-14,18H,3-6,15-17H2,1-2H3,(H,28,32)(H,27,29,30)