4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxidopyridin-1-ium-3-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine CAS Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxido-3-pyridin-1-iumyl)methyl]-1-piperazinyl]methyl]-4-thieno[3,2-d]pyrimidinyl]morpholine IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxidopyridin-1-ium-3-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(1-oxidopyridin-1-ium-3-yl)methyl]piperazino]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine Formula: C28H30N8O2S MolecularWeight: 542.6552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C[N+](=CC=C2)[O-])CC3=CC4=C(S3)C(=NC(=N4)C5=C6C=NNC6=CC=C5)N7CCOCC7

Isomeric SMILES

C1CN(CCN1CC2=C[N+](=CC=C2)[O-])CC3=CC4=C(S3)C(=NC(=N4)C5=C6C=NNC6=CC=C5)N7CCOCC7

InChI

InChI=1S/C28H30N8O2S/c37-36-6-2-3-20(18-36)17-33-7-9-34(10-8-33)19-21-15-25-26(39-21)28(35-11-13-38-14-12-35)31-27(30-25)22-4-1-5-24-23(22)16-29-32-24/h1-6,15-16,18H,7-14,17,19H2,(H,29,32)