3-[5-azanyl-2-(5-cyano-2-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[5-azanyl-2-(5-cyano-2-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(5-cyano-2-phenoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxyphenoxy)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C33H28N6O4 MolecularWeight: 572.61322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

InChI

InChI=1S/C33H28N6O4/c1-39(2)32(40)24-12-9-15-26(19-24)42-31-29(35)30(36-21-22-10-5-3-6-11-22)37-33(38-31)43-28-18-23(20-34)16-17-27(28)41-25-13-7-4-8-14-25/h3-19H,21,35H2,1-2H3,(H,36,37,38)