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

Systemtic Name: N-ethyl-4-[[4-(3-ethyl-7-morpholin-4-yl-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Openeye Name: N-ethyl-4-[[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide CAS Name: N-ethyl-4-[[[4-[3-ethyl-7-(4-morpholinyl)-5-triazolo[4,5-d]pyrimidinyl]anilino]-oxomethyl]amino]benzamide IUPAC Name: N-ethyl-4-[[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Traditional Name: N-ethyl-4-[[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide Formula: C26H29N9O3 MolecularWeight: 515.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37)