5-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-[(6-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C22H21BrN5OS+ MolecularWeight: 483.40404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H20BrN5OS/c23-17-4-2-16(3-5-17)18-13-30-22-20(18)21(26-14-27-22)25-12-15-1-6-19(24-11-15)28-7-9-29-10-8-28/h1-6,11,13-14H,7-10,12H2,(H,25,26,27)/p+1