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

Systemtic Name: 3-[5-azanyl-2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-6-(benzylamino)-2-(2-benzyloxy-5-cyano-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(5-cyano-2-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenylmethoxyphenoxy)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-2-(2-benzoxy-5-cyano-phenoxy)-6-(benzylamino)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C34H30N6O4 MolecularWeight: 586.6398

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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)OCC5=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)OCC5=CC=CC=C5

InChI

InChI=1S/C34H30N6O4/c1-40(2)33(41)26-14-9-15-27(19-26)43-32-30(36)31(37-21-23-10-5-3-6-11-23)38-34(39-32)44-29-18-25(20-35)16-17-28(29)42-22-24-12-7-4-8-13-24/h3-19H,21-22,36H2,1-2H3,(H,37,38,39)