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

Systemtic Name: ethyl 4-[(4-ethanoylpiperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-allyl-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-allyl-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H32N4O4/c1-5-11-28-20(16-26-12-14-27(15-13-26)18(4)29)21(23(30)32-6-2)22(25-24(28)31)19-10-8-7-9-17(19)3/h5,7-10,22H,1,6,11-16H2,2-4H3,(H,25,31)