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

Systemtic Name: N-cyclopentyl-4-(2-fluorophenyl)-N-(phenylmethyl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-benzyl-N-cyclopentyl-4-(2-fluorophenyl)-2-thiomorpholino-pyrimidine-5-carboxamide CAS Name: N-cyclopentyl-4-(2-fluorophenyl)-N-(phenylmethyl)-2-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-N-cyclopentyl-4-(2-fluorophenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: N-benzyl-N-cyclopentyl-4-(2-fluorophenyl)-2-thiomorpholino-pyrimidine-5-carboxamide Formula: C27H29FN4OS MolecularWeight: 476.608763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CC=C2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4F)N5CCSCC5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CC=C2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4F)N5CCSCC5

InChI

InChI=1S/C27H29FN4OS/c28-24-13-7-6-12-22(24)25-23(18-29-27(30-25)31-14-16-34-17-15-31)26(33)32(21-10-4-5-11-21)19-20-8-2-1-3-9-20/h1-3,6-9,12-13,18,21H,4-5,10-11,14-17,19H2