1-(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea

Systemtic Name: 1-(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea Openeye Name: 1-(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea CAS Name: 1-(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-(2-pyrazinyl)urea IUPAC Name: 1-(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-ylurea Traditional Name: 1-(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea Formula: C12H10N8O3 MolecularWeight: 314.2596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)NC3=NC=CN=C3)N(C(=N)N=[N+]2[O-])O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)NC3=NC=CN=C3)N(C(=N)N=[N+]2[O-])O

InChI

InChI=1S/C12H10N8O3/c13-11-18-20(23)8-2-1-7(5-9(8)19(11)22)16-12(21)17-10-6-14-3-4-15-10/h1-6,13,22H,(H2,15,16,17,21)