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

Systemtic Name: butyl 4-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]amino]-1-methyl-6-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H31FN4O4S MolecularWeight: 526.622843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN4O4S/c1-3-4-15-36-26(34)23-24(32(21-8-6-5-7-9-21)27(37)30(2)25(23)33)29-22-18-31(14-16-35-22)17-19-10-12-20(28)13-11-19/h5-13,22,29H,3-4,14-18H2,1-2H3