2-azanyl-4-oxidanylidene-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride

Systemtic Name: 2-azanyl-4-oxidanylidene-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride Openeye Name: 2-amino-4-oxo-7-(3-thienylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride CAS Name: 2-amino-4-oxo-7-(3-thiophenylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride IUPAC Name: 2-amino-4-oxo-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride Traditional Name: 2-amino-4-keto-7-(3-thenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-diazonium chloride Formula: C11H9ClN6OS MolecularWeight: 308.74676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC2=C(NC3=C2NC(=NC3=O)N)[N+]#N.[Cl-]

Isomeric SMILES

C1=CSC=C1CC2=C(NC3=C2NC(=NC3=O)N)[N+]#N.[Cl-]

InChI

InChI=1S/C11H8N6OS.ClH/c12-11-15-7-6(3-5-1-2-19-4-5)9(17-13)14-8(7)10(18)16-11;/h1-2,4,13H,3H2,(H2,12,16,18);1H