6-methyl-2-[(2-oxidanyl-2-adamantyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(2-oxidanyl-2-adamantyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2-hydroxy-2-adamantyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-hydroxy-2-adamantyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-hydroxy-2-adamantyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-hydroxy-2-adamantyl)methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C16H22N2O2S MolecularWeight: 306.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2(C3CC4CC(C3)CC2C4)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2(C3CC4CC(C3)CC2C4)O

InChI

InChI=1S/C16H22N2O2S/c1-9-2-14(19)18-15(17-9)21-8-16(20)12-4-10-3-11(6-12)7-13(16)5-10/h2,10-13,20H,3-8H2,1H3,(H,17,18,19)