ethyl 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: ethyl 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-5-yl]propionic acid ethyl ester Formula: C15H25N4O3+ MolecularWeight: 309.384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C15H24N4O3/c1-4-22-13(20)6-5-12-11(2)16-15(17-14(12)21)19-9-7-18(3)8-10-19/h4-10H2,1-3H3,(H,16,17,21)/p+1