3-bromanyl-4-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide; N-ethylethanamine

Systemtic Name: 3-bromanyl-4-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide; N-ethylethanamine Openeye Name: 3-bromo-4-methyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide; N-ethylethanamine CAS Name: 3-bromo-4-methyl-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide; N-ethylethanamine IUPAC Name: 3-bromo-4-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide; N-ethylethanamine Traditional Name: 3-bromo-4-methyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide; diethylamine Formula: C28H31BrN6O MolecularWeight: 547.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)Br)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCNCC.CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)Br)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C24H20BrN5O.C4H11N/c1-15-5-7-17(12-20(15)25)23(31)28-19-8-6-16(2)22(13-19)30-24-27-11-9-21(29-24)18-4-3-10-26-14-18;1-3-5-4-2/h3-14H,1-2H3,(H,28,31)(H,27,29,30);5H,3-4H2,1-2H3