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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)C)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)C)CN3CCN(CC3)C(=O)C

InChI

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