4-[methyl(phenyl)amino]-2-methylsulfanyl-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-[methyl(phenyl)amino]-2-methylsulfanyl-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-(N-methylanilino)-2-methylsulfanyl-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-(N-methylanilino)-2-(methylthio)-5-oxido-6-phenyl-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-(N-methylanilino)-2-methylsulfanyl-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-(N-methylanilino)-2-(methylthio)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC3=C2[N+](=C(C3=O)C4=CC=CC=C4)[O-])SC

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC3=C2[N+](=C(C3=O)C4=CC=CC=C4)[O-])SC

InChI

InChI=1S/C20H16N4O2S/c1-23(14-11-7-4-8-12-14)19-17-15(21-20(22-19)27-2)18(25)16(24(17)26)13-9-5-3-6-10-13/h3-12H,1-2H3