N2-[3-(1H-indol-4-yl)phenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(1H-indol-4-yl)phenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(1H-indol-4-yl)phenyl]-N4-(3-morpholinopropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(1H-indol-4-yl)phenyl]-N4-[3-(4-morpholinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1H-indol-4-yl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(1H-indol-4-yl)anilino]pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C25H28N6O MolecularWeight: 428.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=C5C=CNC5=CC=C4

Isomeric SMILES

C1COCCN1CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=C5C=CNC5=CC=C4

InChI

InChI=1S/C25H28N6O/c1-4-19(21-6-2-7-23-22(21)8-11-26-23)18-20(5-1)29-25-28-12-9-24(30-25)27-10-3-13-31-14-16-32-17-15-31/h1-2,4-9,11-12,18,26H,3,10,13-17H2,(H2,27,28,29,30)