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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonylpiperazin-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)piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)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)piperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclobutanecarbonyl)piperazino]methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(CC3)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C27H36N4O4/c1-4-13-31-22(18-29-14-16-30(17-15-29)25(32)20-10-8-11-20)23(26(33)35-5-2)24(28-27(31)34)21-12-7-6-9-19(21)3/h4,6-7,9,12,20,24H,1,5,8,10-11,13-18H2,2-3H3,(H,28,34)