1-(1-adamantyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C16H22N4OS/c17-13-4-14(18)20-15(19-13)22-8-12(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H4,17,18,19,20)