2-(1-adamantylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-(1-adamantylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(1-adamantylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-(1-adamantylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(1-adamantylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC34CC5CC(C3)CC(C5)C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC34CC5CC(C3)CC(C5)C4)C(=O)C

InChI

InChI=1S/C20H24N2O2S2/c1-10-16-18(24)21-15(22-19(16)26-17(10)11(2)23)9-25-20-6-12-3-13(7-20)5-14(4-12)8-20/h12-14H,3-9H2,1-2H3,(H,21,22,24)