2-methylsulfanyl-5-oxidanidyl-6-phenyl-4-pyrrolidin-1-yl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 2-methylsulfanyl-5-oxidanidyl-6-phenyl-4-pyrrolidin-1-yl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 2-methylsulfanyl-5-oxido-6-phenyl-4-pyrrolidin-1-yl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 2-(methylthio)-5-oxido-6-phenyl-4-(1-pyrrolidinyl)-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 2-methylsulfanyl-5-oxido-6-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 2-(methylthio)-5-oxido-6-phenyl-4-pyrrolidino-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N3CCCC3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CSC1=NC2=C(C(=N1)N3CCCC3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-24-17-18-12-14(16(19-17)20-9-5-6-10-20)21(23)13(15(12)22)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3