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

Systemtic Name: N-[3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c24-18-8-19(29)28-22(27-18)32-12-20(30)25-16-2-1-3-17(7-16)26-21(31)23-9-13-4-14(10-23)6-15(5-13)11-23/h1-3,7-8,13-15H,4-6,9-12H2,(H,25,30)(H,26,31)(H3,24,27,28,29)