ethyl 2-methyl-4-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-(3-methyl-4-octanoyl-piperazine-1-carbonyl)-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-methyl-4-octanoylpiperazine-1-carbonyl)-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H40N4O4 MolecularWeight: 460.6095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)CCC)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)CCC)C(=O)OCC

InChI

InChI=1S/C25H40N4O4/c1-6-9-10-11-12-14-21(30)29-16-15-28(17-18(29)4)24(31)23-22(25(32)33-8-3)20(13-7-2)26-19(5)27-23/h18H,6-17H2,1-5H3