4-butan-2-yl-6-[(E)-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethenyl]pyrimidin-2-amine

Systemtic Name: 4-butan-2-yl-6-[(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]-6-sec-butyl-pyrimidin-2-amine CAS Name: 4-butan-2-yl-6-[(E)-2-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)ethenyl]-2-pyrimidinamine IUPAC Name: 4-butan-2-yl-6-[(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]-6-sec-butyl-pyrimidin-2-yl]amine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=NC(=C1)C=CC2=C[N+](=O)C3=CC=CC=C3N2[O-])N

Isomeric SMILES

CCC(C)C1=NC(=NC(=C1)/C=C/C2=C[N+](=O)C3=CC=CC=C3N2[O-])N

InChI

InChI=1S/C18H19N5O2/c1-3-12(2)15-10-13(20-18(19)21-15)8-9-14-11-22(24)16-6-4-5-7-17(16)23(14)25/h4-12H,3H2,1-2H3,(H2,19,20,21)/b9-8+