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

Systemtic Name: N-(2-aminophenyl)-4-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzamide Formula: C30H27N7O MolecularWeight: 501.58168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)