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

Systemtic Name: (2R)-1-(1-adamantyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propan-1-one Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)N)N

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C17H24N4OS/c1-9(23-16-20-13(18)5-14(19)21-16)15(22)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,9-12H,2-4,6-8H2,1H3,(H4,18,19,20,21)/t9-,10?,11?,12?,17?/m1/s1