N-(3-morpholin-4-ylpropyl)-3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]benzamide Openeye Name: N-(3-morpholinopropyl)-3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzamide CAS Name: N-[3-(4-morpholinyl)propyl]-3-[[4-(4-phenoxyanilino)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzamide Traditional Name: N-(3-morpholinopropyl)-3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzamide Formula: C30H32N6O3 MolecularWeight: 524.61348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H32N6O3/c37-29(31-15-5-17-36-18-20-38-21-19-36)23-6-4-7-25(22-23)34-30-32-16-14-28(35-30)33-24-10-12-27(13-11-24)39-26-8-2-1-3-9-26/h1-4,6-14,16,22H,5,15,17-21H2,(H,31,37)(H2,32,33,34,35)