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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-allyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-allyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CS5)C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CS5)C(=O)N4CC=C

InChI

InChI=1S/C22H26N2O2S2/c1-3-5-24-20(26)17-4-6-27-19(17)23-21(24)28-13(2)18(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-4,6,13-16H,1,5,7-12H2,2H3