2-(1-adamantylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1-adamantylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-adamantylmethylsulfanyl)-3-allyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-adamantylmethylthio)-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1-adamantylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1-adamantylmethylthio)-3-allyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H28N2OS2 MolecularWeight: 448.64332

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC34CC5CC(C3)CC(C5)C4)SC=C2C6=CC=CC=C6

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC34CC5CC(C3)CC(C5)C4)SC=C2C6=CC=CC=C6

InChI

InChI=1S/C26H28N2OS2/c1-2-8-28-24(29)22-21(20-6-4-3-5-7-20)15-30-23(22)27-25(28)31-16-26-12-17-9-18(13-26)11-19(10-17)14-26/h2-7,15,17-19H,1,8-14,16H2