2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-isopentyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-isoamyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H36N2O2S2 MolecularWeight: 484.71694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4)SC6=C2CCCC6

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4)SC6=C2CCCC6

InChI

InChI=1S/C27H36N2O2S2/c1-16(2)7-8-29-25(31)23-20-5-3-4-6-21(20)33-24(23)28-26(29)32-15-22(30)27-12-17-9-18(13-27)11-19(10-17)14-27/h16-19H,3-15H2,1-2H3