4-[[4-(3-bromanylphenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(3-bromanylphenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(3-bromophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(3-bromophenoxy)-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(3-bromophenoxy)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(3-bromophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C23H21BrN3O2S+ MolecularWeight: 483.40074

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC(=CC=C5)Br

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC(=CC=C5)Br

InChI

InChI=1S/C23H20BrN3O2S/c24-17-7-4-8-18(13-17)29-22-21-19(16-5-2-1-3-6-16)15-30-23(21)26-20(25-22)14-27-9-11-28-12-10-27/h1-8,13,15H,9-12,14H2/p+1