ethyl 4-[(4-ethanoylpiperazin-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-ethanoylpiperazin-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H30N4O4/c1-4-26-18(15-24-11-13-25(14-12-24)16(3)27)19(21(28)30-5-2)20(23-22(26)29)17-9-7-6-8-10-17/h6-10,20H,4-5,11-15H2,1-3H3,(H,23,29)