4-[3-(pyridin-3-ylmethylamino)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-[3-(pyridin-3-ylmethylamino)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-[3-(3-pyridylmethylamino)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-[3-(3-pyridinylmethylamino)phenyl]-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-[3-(pyridin-3-ylmethylamino)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Traditional Name: 3-pyridylmethyl-[3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenyl]amine Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC(=CC=C3)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC(=CC=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C25H25N5O3/c1-31-22-13-20(14-23(32-2)24(22)33-3)29-25-27-11-9-21(30-25)18-7-4-8-19(12-18)28-16-17-6-5-10-26-15-17/h4-15,28H,16H2,1-3H3,(H,27,29,30)