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

Systemtic Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H26N2OS2 MolecularWeight: 374.56324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)SC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C20H26N2OS2/c1-10-11(2)24-19-16(10)18(23)21-17(22-19)12(3)25-20-7-13-4-14(8-20)6-15(5-13)9-20/h12-15H,4-9H2,1-3H3,(H,21,22,23)/t12-,13?,14?,15?,20?/m0/s1