3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(2-pyridylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-2-(2-pyridinylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(2-pyridylmethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC5=CC=CC=N5

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC5=CC=CC=N5

InChI

InChI=1S/C24H24N4O2S2/c29-23-22-20(16-21(32-22)18-6-2-1-3-7-18)26-24(31-17-19-8-4-5-9-25-19)28(23)11-10-27-12-14-30-15-13-27/h1-9,16H,10-15,17H2/p+1