ethyl 2-(4-ethylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-ethylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-ethylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-ethyl-1-piperazinyl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-ethylpiperazino)-6-keto-4-(4-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5/c1-3-22-9-11-23(12-10-22)19-20-16(13-5-7-14(8-6-13)24(27)28)15(17(25)21-19)18(26)29-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,21,25)