4-[(E)-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethenyl]pyrimidin-2-amine

Systemtic Name: 4-[(E)-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethenyl]pyrimidin-2-amine Openeye Name: 4-[(E)-2-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)vinyl]pyrimidin-2-amine CAS Name: 4-[(E)-2-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)ethenyl]-2-pyrimidinamine IUPAC Name: 4-[(E)-2-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)ethenyl]pyrimidin-2-amine Traditional Name: [4-[(E)-2-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)vinyl]pyrimidin-2-yl]amine Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C=CC3=NC(=NC=C3)N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C[N+]2=O)/C=C/C3=NC(=NC=C3)N)[O-]

InChI

InChI=1S/C14H11N5O2/c15-14-16-8-7-10(17-14)5-6-11-9-18(20)12-3-1-2-4-13(12)19(11)21/h1-9H,(H2,15,16,17)/b6-5+