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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2/c1-11(2)14-9-12(19-17(18)20-14)7-8-13-10-21(23)15-5-3-4-6-16(15)22(13)24/h3-11H,1-2H3,(H2,18,19,20)/b8-7+