1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-allyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-allyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C15H23N4OS+ MolecularWeight: 307.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC=C)N2CC[NH+](CC2)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC=C)N2CC[NH+](CC2)C)C(=O)C

InChI

InChI=1S/C15H22N4OS/c1-5-6-19-11(2)13(12(3)20)14(16-15(19)21)18-9-7-17(4)8-10-18/h5H,1,6-10H2,2-4H3/p+1