N-cyclobutyl-4-(2-fluorophenyl)-N-(phenylmethyl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-cyclobutyl-4-(2-fluorophenyl)-N-(phenylmethyl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-benzyl-N-cyclobutyl-4-(2-fluorophenyl)-2-thiomorpholino-pyrimidine-5-carboxamide CAS Name: N-cyclobutyl-4-(2-fluorophenyl)-N-(phenylmethyl)-2-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-N-cyclobutyl-4-(2-fluorophenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: N-benzyl-N-cyclobutyl-4-(2-fluorophenyl)-2-thiomorpholino-pyrimidine-5-carboxamide Formula: C26H27FN4OS MolecularWeight: 462.582183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N(CC2=CC=CC=C2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4F)N5CCSCC5

Isomeric SMILES

C1CC(C1)N(CC2=CC=CC=C2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4F)N5CCSCC5

InChI

InChI=1S/C26H27FN4OS/c27-23-12-5-4-11-21(23)24-22(17-28-26(29-24)30-13-15-33-16-14-30)25(32)31(20-9-6-10-20)18-19-7-2-1-3-8-19/h1-5,7-8,11-12,17,20H,6,9-10,13-16,18H2