propan-2-yl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C27H29FN4O5S MolecularWeight: 540.606363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C27H29FN4O5S/c1-17(2)37-27(34)23-19(4)29-25(20-8-6-5-7-9-20)30-24(23)26(33)31-14-15-32(18(3)16-31)38(35,36)22-12-10-21(28)11-13-22/h5-13,17-18H,14-16H2,1-4H3