5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene]-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: 5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene]-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: 5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene]-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: 5-[1-[(4-methyl-1-piperazin-4-iumyl)amino]propylidene]-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: 5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene]-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene]-1H-pyrimidin-2-olate Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=NC1=O)[O-])NN2CC[NH+](CC2)C

Isomeric SMILES

CCC(=C1C(=O)NC(=NC1=O)[O-])NN2CC[NH+](CC2)C

InChI

InChI=1S/C12H19N5O3/c1-3-8(15-17-6-4-16(2)5-7-17)9-10(18)13-12(20)14-11(9)19/h15H,3-7H2,1-2H3,(H2,13,14,18,19,20)