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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-ethylpiperazin-1-yl)methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-ethyl-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-ethylpiperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-ethylpiperazino)methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C24H34N4O3/c1-5-12-28-20(17-27-15-13-26(6-2)14-16-27)21(23(29)31-7-3)22(25-24(28)30)19-11-9-8-10-18(19)4/h5,8-11,22H,1,6-7,12-17H2,2-4H3,(H,25,30)