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

Systemtic Name: 4-[(E)-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethenyl]-6-propyl-pyrimidin-2-amine Openeye Name: 4-[(E)-2-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)vinyl]-6-propyl-pyrimidin-2-amine CAS Name: 4-[(E)-2-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)ethenyl]-6-propyl-2-pyrimidinamine IUPAC Name: 4-[(E)-2-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)ethenyl]-6-propylpyrimidin-2-amine Traditional Name: [4-[(E)-2-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)vinyl]-6-propyl-pyrimidin-2-yl]amine Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1)C=CC2=C[N+](=O)C3=CC=CC=C3N2[O-])N

Isomeric SMILES

CCCC1=NC(=NC(=C1)/C=C/C2=C[N+](=O)C3=CC=CC=C3N2[O-])N

InChI

InChI=1S/C17H17N5O2/c1-2-5-12-10-13(20-17(18)19-12)8-9-14-11-21(23)15-6-3-4-7-16(15)22(14)24/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20)/b9-8+