(2R)-1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: (2R)-1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-(2-pyrimidylthio)propan-1-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-11(21-16-18-3-2-4-19-16)15(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3/t11-,12?,13?,14?,17?/m1/s1