ethyl 6-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-ethoxybenzyl)piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C21H30N4O4/c1-3-28-17-7-5-16(6-8-17)14-24-9-11-25(12-10-24)15-19-18(20(26)29-4-2)13-22-21(27)23-19/h5-8H,3-4,9-15H2,1-2H3,(H2,22,23,27)