N-[3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC=CC(=O)N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC=CC(=O)N5

InChI

InChI=1S/C23H26N4O3S/c28-19-4-5-24-22(27-19)31-13-20(29)25-17-2-1-3-18(9-17)26-21(30)23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,9,14-16H,6-8,10-13H2,(H,25,29)(H,26,30)(H,24,27,28)