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

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

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C21H30N4O4/c1-4-17-19(20(26)29-5-2)18(23-21(27)22-17)14-24-9-11-25(12-10-24)15-7-6-8-16(13-15)28-3/h6-8,13,17H,4-5,9-12,14H2,1-3H3,(H2,22,23,27)/t17-/m0/s1