2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: N-cyclohexyl-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: N-cyclohexyl-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C19H24FN5OS MolecularWeight: 389.490163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H24FN5OS/c20-14-8-6-13(7-9-14)11-25(15-4-2-1-3-5-15)18(26)12-27-19-23-16(21)10-17(22)24-19/h6-10,15H,1-5,11-12H2,(H4,21,22,23,24)