N-[3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N4O3S/c1-2-4-19-11-22(31)30-25(29-19)34-15-23(32)27-20-5-3-6-21(10-20)28-24(33)26-12-16-7-17(13-26)9-18(8-16)14-26/h3,5-6,10-11,16-18H,2,4,7-9,12-15H2,1H3,(H,27,32)(H,28,33)(H,29,30,31)