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

Systemtic Name: ethyl 4-[[4-(furan-2-ylcarbonyl)-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(furan-2-carbonyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(2-furoyl)-3-methyl-piperazino]methyl]-2-keto-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H36N4O6 MolecularWeight: 584.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC=CO5

InChI

InChI=1S/C33H36N4O6/c1-4-16-37-27(22-35-17-18-36(23(3)21-35)31(38)28-15-10-19-42-28)29(32(39)41-5-2)30(34-33(37)40)24-11-9-14-26(20-24)43-25-12-7-6-8-13-25/h4,6-15,19-20,23,30H,1,5,16-18,21-22H2,2-3H3,(H,34,40)