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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O2S/c1-10-2-15(21)19-16(18-10)22-9-14(20)17-6-11-3-12(7-17)5-13(4-11)8-17/h2,11-13H,3-9H2,1H3,(H,18,19,21)