4-azanyl-6-(4-ethylphenyl)-2-methylsulfanyl-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-azanyl-6-(4-ethylphenyl)-2-methylsulfanyl-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-6-(4-ethylphenyl)-2-methylsulfanyl-5-oxido-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-6-(4-ethylphenyl)-2-(methylthio)-5-oxido-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-6-(4-ethylphenyl)-2-methylsulfanyl-5-oxidopyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-6-(4-ethylphenyl)-2-(methylthio)-5-oxido-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=[N+](C3=C(C2=O)N=C(N=C3N)SC)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=[N+](C3=C(C2=O)N=C(N=C3N)SC)[O-]

InChI

InChI=1S/C15H14N4O2S/c1-3-8-4-6-9(7-5-8)11-13(20)10-12(19(11)21)14(16)18-15(17-10)22-2/h4-7H,3H2,1-2H3,(H2,16,17,18)