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

Systemtic Name: N4-isoquinolin-3-yl-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(3-isoquinolyl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(3-isoquinolinyl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-isoquinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: 3-isoquinolyl-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-28-17-11-16(12-18(29-2)21(17)30-3)25-22-23-9-8-19(27-22)26-20-10-14-6-4-5-7-15(14)13-24-20/h4-13H,1-3H3,(H2,23,24,25,26,27)