N-[3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2S/c24-18-8-19(25)29-22(28-18)32-12-20(30)26-16-2-1-3-17(7-16)27-21(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,26,30)(H,27,31)(H4,24,25,28,29)