2-[[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(1-adamantyl)-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(1-adamantyl)-2-oxoethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(1-adamantyl)-2-oxoethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(1-adamantyl)-2-keto-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H26N2O2S2/c1-11-12(2)27-20-18(11)19(25)22-17(23-20)10-26-9-16(24)21-6-13-3-14(7-21)5-15(4-13)8-21/h13-15H,3-10H2,1-2H3,(H,22,23,25)