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

Systemtic Name: ethyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethyl-1-piperazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C([C@@H](NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OCC

InChI

InChI=1S/C22H32N4O3/c1-5-25-9-11-26(12-10-25)14-18-19(21(27)29-6-2)20(24-22(28)23-18)17-13-15(3)7-8-16(17)4/h7-8,13,20H,5-6,9-12,14H2,1-4H3,(H2,23,24,28)/t20-/m0/s1