ethyl 6-(2-methylphenyl)-4-[(3-methyl-4-propanoyl-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-propanoyl-piperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(3-methyl-4-propanoyl-piperazin-1-yl)methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxopropyl)-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-propanoylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methyl-4-propionyl-piperazino)methyl]-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4/c1-6-13-30-21(17-28-14-15-29(19(5)16-28)22(31)7-2)23(25(32)34-8-3)24(27-26(30)33)20-12-10-9-11-18(20)4/h6,9-12,19,24H,1,7-8,13-17H2,2-5H3,(H,27,33)