cyclohexyl 4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]amino]-1-methyl-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: cyclohexyl 4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]amino]-1-methyl-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: cyclohexyl 4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]amino]-1-methyl-6-oxo-3-phenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]amino]-1-methyl-6-oxo-3-phenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]amino]-1-methyl-6-oxo-3-phenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-[[4-(4-fluorobenzyl)morpholin-2-yl]amino]-6-keto-1-methyl-3-phenyl-2-thioxo-pyrimidine-5-carboxylic acid cyclohexyl ester Formula: C29H33FN4O4S MolecularWeight: 552.660123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2)NC3CN(CCO3)CC4=CC=C(C=C4)F)C(=O)OC5CCCCC5

Isomeric SMILES

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2)NC3CN(CCO3)CC4=CC=C(C=C4)F)C(=O)OC5CCCCC5

InChI

InChI=1S/C29H33FN4O4S/c1-32-27(35)25(28(36)38-23-10-6-3-7-11-23)26(34(29(32)39)22-8-4-2-5-9-22)31-24-19-33(16-17-37-24)18-20-12-14-21(30)15-13-20/h2,4-5,8-9,12-15,23-24,31H,3,6-7,10-11,16-19H2,1H3