N-[(4-tert-butylphenyl)methyl]-4-(2-fluorophenyl)-N-propan-2-yl-2-thiomorpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-(2-fluorophenyl)-N-propan-2-yl-2-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-(2-fluorophenyl)-N-isopropyl-2-thiomorpholino-pyrimidine-5-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-(2-fluorophenyl)-N-propan-2-yl-2-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-(2-fluorophenyl)-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-4-(2-fluorophenyl)-N-isopropyl-2-thiomorpholino-pyrimidine-5-carboxamide Formula: C29H35FN4OS MolecularWeight: 506.677803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(C)(C)C)C(=O)C2=CN=C(N=C2C3=CC=CC=C3F)N4CCSCC4

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(C)(C)C)C(=O)C2=CN=C(N=C2C3=CC=CC=C3F)N4CCSCC4

InChI

InChI=1S/C29H35FN4OS/c1-20(2)34(19-21-10-12-22(13-11-21)29(3,4)5)27(35)24-18-31-28(33-14-16-36-17-15-33)32-26(24)23-8-6-7-9-25(23)30/h6-13,18,20H,14-17,19H2,1-5H3