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

Systemtic Name: 3-bromanyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(morpholin-4-ylmethyl)benzamide Openeye Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(morpholinomethyl)benzamide CAS Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(4-morpholinylmethyl)benzamide IUPAC Name: 3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(morpholin-4-ylmethyl)benzamide Traditional Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(morpholinomethyl)benzamide Formula: C28H27BrN6O2 MolecularWeight: 559.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCOCC3)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCOCC3)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H27BrN6O2/c1-19-4-7-23(16-26(19)34-28-31-10-8-25(33-28)21-3-2-9-30-17-21)32-27(36)20-5-6-22(24(29)15-20)18-35-11-13-37-14-12-35/h2-10,15-17H,11-14,18H2,1H3,(H,32,36)(H,31,33,34)