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

Systemtic Name: 3-[5-azanyl-2-(2-tert-butyl-5-cyano-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-6-(benzylamino)-2-(2-tert-butyl-5-cyano-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(2-tert-butyl-5-cyanophenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(2-tert-butyl-5-cyanophenoxy)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-6-(benzylamino)-2-(2-tert-butyl-5-cyano-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C31H32N6O3 MolecularWeight: 536.62418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N6O3/c1-31(2,3)24-15-14-21(18-32)16-25(24)40-30-35-27(34-19-20-10-7-6-8-11-20)26(33)28(36-30)39-23-13-9-12-22(17-23)29(38)37(4)5/h6-17H,19,33H2,1-5H3,(H,34,35,36)