N-(1-adamantyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C24H26FN5OS MolecularWeight: 451.559543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSC5=NC=C(C(=N5)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSC5=NC=C(C(=N5)N)C#N

InChI

InChI=1S/C24H26FN5OS/c25-20-3-1-15(2-4-20)13-30(24-8-16-5-17(9-24)7-18(6-16)10-24)21(31)14-32-23-28-12-19(11-26)22(27)29-23/h1-4,12,16-18H,5-10,13-14H2,(H2,27,28,29)