ethyl (4R,5S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-methoxyphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R,5S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-methoxyphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-2-(4-ethyl-1-piperazin-4-iumyl)-4-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=CC=CC=C3OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=N[C@H]([C@@H](C(=O)N2)C(=O)OCC)C3=CC=CC=C3OC

InChI

InChI=1S/C20H28N4O4/c1-4-23-10-12-24(13-11-23)20-21-17(14-8-6-7-9-15(14)27-3)16(18(25)22-20)19(26)28-5-2/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,22,25)/p+1/t16-,17-/m0/s1