N4-(1-methoxyisoquinolin-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(1-methoxyisoquinolin-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1-methoxy-3-isoquinolyl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(1-methoxy-3-isoquinolinyl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-methoxyisoquinolin-3-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (1-methoxy-3-isoquinolyl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4C(=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4C(=N3)OC

InChI

InChI=1S/C23H23N5O4/c1-29-17-12-15(13-18(30-2)21(17)31-3)25-23-24-10-9-19(28-23)26-20-11-14-7-5-6-8-16(14)22(27-20)32-4/h5-13H,1-4H3,(H2,24,25,26,27,28)