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

Systemtic Name: 3-[5-azanyl-2-(2-azanyl-5-cyano-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-2-(2-amino-5-cyano-phenoxy)-6-(benzylamino)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(2-amino-5-cyanophenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-2-(2-amino-5-cyanophenoxy)-6-(benzylamino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-2-(2-amino-5-cyano-phenoxy)-6-(benzylamino)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C27H25N7O3 MolecularWeight: 495.5325

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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)N

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)N

InChI

InChI=1S/C27H25N7O3/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(15-28)11-12-21(22)29/h3-14H,16,29-30H2,1-2H3,(H,31,32,33)