propan-2-yl 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN4O3/c1-13(2)29-21(28)18-14(3)23-15(4)24-19(18)20(27)26-11-9-25(10-12-26)17-8-6-5-7-16(17)22/h5-8,13H,9-12H2,1-4H3