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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazino]methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(C(C3)C)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(C(C3)C)C(=O)C4CCC4

InChI

InChI=1S/C28H38N4O4/c1-5-14-32-23(18-30-15-16-31(20(4)17-30)26(33)21-11-9-12-21)24(27(34)36-6-2)25(29-28(32)35)22-13-8-7-10-19(22)3/h5,7-8,10,13,20-21,25H,1,6,9,11-12,14-18H2,2-4H3,(H,29,35)