5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate

Systemtic Name: 5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate Openeye Name: 1-allyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-4,6-dioxo-pyrimidin-2-olate CAS Name: 5-[1-[(4-methyl-1-piperazin-4-iumyl)amino]ethylidene]-4,6-dioxo-1-prop-2-enyl-2-pyrimidinolate IUPAC Name: 5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-4,6-dioxo-1-prop-2-enylpyrimidin-2-olate Traditional Name: 1-allyl-4,6-diketo-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]pyrimidin-2-olate Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)CC=C)[O-])NN2CC[NH+](CC2)C

Isomeric SMILES

CC(=C1C(=O)N=C(N(C1=O)CC=C)[O-])NN2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N5O3/c1-4-5-19-13(21)11(12(20)15-14(19)22)10(2)16-18-8-6-17(3)7-9-18/h4,16H,1,5-9H2,2-3H3,(H,15,20,22)