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

Systemtic Name: ethyl 4-(3-methyl-4-pentanoyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-methyl-4-pentanoyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-4-pentanoylpiperazine-1-carbonyl)-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(3-methyl-4-valeryl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-5-8-15-22(32)31-17-16-30(18-19(31)4)26(33)24-23(27(34)35-7-3)21(12-6-2)28-25(29-24)20-13-10-9-11-14-20/h9-11,13-14,19H,5-8,12,15-18H2,1-4H3