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

Systemtic Name: 1-(3-azanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea Openeye Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea CAS Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-(2-pyrazinyl)urea IUPAC Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-ylurea Traditional Name: 1-(3-amino-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)-3-pyrazin-2-yl-urea Formula: C12H10N8O2 MolecularWeight: 298.2602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N8O2/c13-11-17-8-5-7(1-2-9(8)20(22)19-11)16-12(21)18-10-6-14-3-4-15-10/h1-6H,(H2,13,17,19)(H2,15,16,18,21)