ethyl (4R)-6-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)OC)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H28N4O5/c1-4-30-20(27)18-17(13-24-9-11-25(12-10-24)14(2)26)22-21(28)23-19(18)15-5-7-16(29-3)8-6-15/h5-8,19H,4,9-13H2,1-3H3,(H2,22,23,28)/p+1/t19-/m1/s1