2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-methoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-methoxy-1H-pyrimidin-6-one Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=O)NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O3S/c1-22-15-5-14(21)18-16(19-15)23-9-13(20)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,10-12H,2-4,6-9H2,1H3,(H,18,19,21)