(phenylmethyl) 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-hexanoyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-hexanoyl-3-methylpiperazine-1-carbonyl)-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-caproyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H34N4O4/c1-5-6-8-13-22(31)30-15-14-29(16-18(30)2)25(32)24-23(19(3)27-20(4)28-24)26(33)34-17-21-11-9-7-10-12-21/h7,9-12,18H,5-6,8,13-17H2,1-4H3