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

Systemtic Name: ethyl 6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(o-tolyl)-2-oxo-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-methylphenyl)-2-oxo-4-[[4-[oxo(propylamino)methyl]-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-(o-tolyl)-4-[[4-(propylcarbamoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C26H37N5O4/c1-5-12-27-25(33)30-16-14-29(15-17-30)18-21-22(24(32)35-7-3)23(20-11-9-8-10-19(20)4)28-26(34)31(21)13-6-2/h6,8-11,23H,2,5,7,12-18H2,1,3-4H3,(H,27,33)(H,28,34)