prop-2-enyl 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-(4-hexanoyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-hexanoyl-3-methylpiperazine-1-carbonyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-caproyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

InChI

InChI=1S/C27H34N4O4/c1-5-7-9-14-22(32)31-16-15-30(18-19(31)3)26(33)24-23(27(34)35-17-6-2)20(4)28-25(29-24)21-12-10-8-11-13-21/h6,8,10-13,19H,2,5,7,9,14-18H2,1,3-4H3