2-azanyl-6-diazonio-7-(thiophen-3-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-azanyl-6-diazonio-7-(thiophen-3-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate Openeye Name: 2-amino-6-diazonio-7-(3-thienylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate CAS Name: 2-amino-6-diazonio-7-(3-thiophenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate IUPAC Name: 2-amino-6-diazonio-7-(thiophen-3-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate Traditional Name: 2-amino-6-diazonio-7-(3-thenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-olate Formula: C11H8N6OS MolecularWeight: 272.28582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC2=C(NC3=C2N=C(N=C3[O-])N)[N+]#N

Isomeric SMILES

C1=CSC=C1CC2=C(NC3=C2N=C(N=C3[O-])N)[N+]#N

InChI

InChI=1S/C11H8N6OS/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)