6-ethyl-2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-6-ethyl-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[[4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H17F3N4O2S2 MolecularWeight: 478.51049

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S2/c1-3-7-28-19(30)14-9-12(4-2)32-18(14)27-20(28)31-10-16-25-15-8-11(21(22,23)24)5-6-13(15)17(29)26-16/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,25,26,29)