(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-(pyrimidin-2-ylamino)methanol

Systemtic Name: (1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-(pyrimidin-2-ylamino)methanol Openeye Name: (1-oxido-4-oxo-quinoxalin-4-ium-2-yl)-(pyrimidin-2-ylamino)methanol CAS Name: (1-oxido-4-oxo-2-quinoxalin-4-iumyl)-(2-pyrimidinylamino)methanol IUPAC Name: (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-(pyrimidin-2-ylamino)methanol Traditional Name: (4-keto-1-oxido-quinoxalin-4-ium-2-yl)-(2-pyrimidylamino)methanol Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C(NC3=NC=CC=N3)O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C(NC3=NC=CC=N3)O)[O-]

InChI

InChI=1S/C13H11N5O3/c19-12(16-13-14-6-3-7-15-13)11-8-17(20)9-4-1-2-5-10(9)18(11)21/h1-8,12,19H,(H,14,15,16)