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

Systemtic Name: ethyl 4-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclohexanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclohexanecarbonyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclohexanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C3CCCCC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C3CCCCC3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-4-35-27(34)22-23(20-11-7-5-8-12-20)28-19(3)29-24(22)26(33)30-15-16-31(18(2)17-30)25(32)21-13-9-6-10-14-21/h5,7-8,11-12,18,21H,4,6,9-10,13-17H2,1-3H3