4-[[4-[4-(3-morpholin-4-ylpropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-(3-morpholin-4-ylpropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-(3-morpholinopropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-[3-(4-morpholinyl)propylthio]phenyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-(3-morpholin-4-ylpropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-(3-morpholinopropylthio)phenyl]pyrimidin-2-yl]amino]benzamide Formula: C24H27N5O2S MolecularWeight: 449.56848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCSC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1COCCN1CCCSC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H27N5O2S/c25-23(30)19-2-6-20(7-3-19)27-24-26-11-10-22(28-24)18-4-8-21(9-5-18)32-17-1-12-29-13-15-31-16-14-29/h2-11H,1,12-17H2,(H2,25,30)(H,26,27,28)