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

Systemtic Name: ethyl 4-[[4-(furan-2-ylcarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(3-methylphenyl)-2-oxidanylidene-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]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(3-methylphenyl)-2-oxo-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]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(2-furoyl)-3-methyl-piperazino]methyl]-2-keto-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CO4

InChI

InChI=1S/C28H34N4O5/c1-5-12-32-22(18-30-13-14-31(20(4)17-30)26(33)23-11-8-15-37-23)24(27(34)36-6-2)25(29-28(32)35)21-10-7-9-19(3)16-21/h5,7-11,15-16,20,25H,1,6,12-14,17-18H2,2-4H3,(H,29,35)