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

Systemtic Name: 2-methylsulfanyl-5-oxidanidyl-6-phenyl-4-[(phenylmethyl)amino]pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-(benzylamino)-2-methylsulfanyl-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 2-(methylthio)-5-oxido-6-phenyl-4-[(phenylmethyl)amino]-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-(benzylamino)-2-methylsulfanyl-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-(benzylamino)-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:

CSC1=NC2=C(C(=N1)NCC3=CC=CC=C3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCC3=CC=CC=C3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H16N4O2S/c1-27-20-22-15-17(19(23-20)21-12-13-8-4-2-5-9-13)24(26)16(18(15)25)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,21,22,23)