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

Systemtic Name: 3-[5-azanyl-2-(2-chloranyl-5-cyano-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-6-(benzylamino)-2-(2-chloro-5-cyano-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(2-chloro-5-cyanophenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(2-chloro-5-cyanophenoxy)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-6-(benzylamino)-2-(2-chloro-5-cyano-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C27H23ClN6O3 MolecularWeight: 514.96292

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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)Cl

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)Cl

InChI

InChI=1S/C27H23ClN6O3/c1-34(2)26(35)19-9-6-10-20(14-19)36-25-23(30)24(31-16-17-7-4-3-5-8-17)32-27(33-25)37-22-13-18(15-29)11-12-21(22)28/h3-14H,16,30H2,1-2H3,(H,31,32,33)