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

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-adamantylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-adamantylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1-adamantylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-adamantylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H24N2OS2 MolecularWeight: 360.53666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS2/c1-10-11(2)24-18-16(10)17(22)20-15(21-18)9-23-19-6-12-3-13(7-19)5-14(4-12)8-19/h12-14H,3-9H2,1-2H3,(H,20,21,22)