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

Systemtic Name: ethyl 6-(2-methylphenyl)-4-[[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo(propylamino)methyl]-1-piperazinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylphenyl)-4-[[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[[3-methyl-4-(propylcarbamoyl)piperazino]methyl]-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C27H39N5O4/c1-6-13-28-26(34)31-16-15-30(17-20(31)5)18-22-23(25(33)36-8-3)24(21-12-10-9-11-19(21)4)29-27(35)32(22)14-7-2/h7,9-12,20,24H,2,6,8,13-18H2,1,3-5H3,(H,28,34)(H,29,35)