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

Systemtic Name: 3-[5-azanyl-4-(3-bromanyl-5-cyano-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-4-(benzylamino)-6-(3-bromo-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-4-(3-bromo-5-cyanophenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-4-(benzylamino)-6-(3-bromo-5-cyanophenoxy)pyrimidin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-4-(benzylamino)-6-(3-bromo-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C27H23BrN6O3 MolecularWeight: 559.41392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)N)NCC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)N)NCC4=CC=CC=C4

InChI

InChI=1S/C27H23BrN6O3/c1-34(2)26(35)19-9-6-10-21(13-19)37-27-32-24(31-16-17-7-4-3-5-8-17)23(30)25(33-27)36-22-12-18(15-29)11-20(28)14-22/h3-14H,16,30H2,1-2H3,(H,31,32,33)