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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(3-fluorophenyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(3-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazino]methyl]-6-(3-fluorophenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H33FN4O4 MolecularWeight: 472.552323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)F)C)CN3CCN(C(C3)C)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)F)C)CN3CCN(C(C3)C)C(=O)C4CCC4

InChI

InChI=1S/C25H33FN4O4/c1-4-34-24(32)21-20(28(3)25(33)27-22(21)18-9-6-10-19(26)13-18)15-29-11-12-30(16(2)14-29)23(31)17-7-5-8-17/h6,9-10,13,16-17,22H,4-5,7-8,11-12,14-15H2,1-3H3,(H,27,33)