2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-ethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-ethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-ethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-ethyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O2S2/c1-3-23-19(25)17-16(4-5-26-17)22-20(23)27-12(2)18(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h4-5,12-15H,3,6-11H2,1-2H3