N-butyl-4-[[4-(3-ethyl-7-morpholin-4-yl-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide

Systemtic Name: N-butyl-4-[[4-(3-ethyl-7-morpholin-4-yl-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Openeye Name: N-butyl-4-[[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide CAS Name: N-butyl-4-[[[4-[3-ethyl-7-(4-morpholinyl)-5-triazolo[4,5-d]pyrimidinyl]anilino]-oxomethyl]amino]benzamide IUPAC Name: N-butyl-4-[[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Traditional Name: N-butyl-4-[[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Formula: C28H33N9O3 MolecularWeight: 543.62012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NC4=C(C(=N3)N5CCOCC5)N=NN4CC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NC4=C(C(=N3)N5CCOCC5)N=NN4CC

InChI

InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39)