5-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylsulfanyl]-7-(1-oxidanylpropan-2-ylamino)-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

Systemtic Name: 5-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylsulfanyl]-7-(1-oxidanylpropan-2-ylamino)-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one Openeye Name: 5-[[3-chloro-4-(trifluoromethoxy)phenyl]methylsulfanyl]-7-[(2-hydroxy-1-methyl-ethyl)amino]-3H-thiazolo[4,5-d]pyrimidin-2-one CAS Name: 5-[[3-chloro-4-(trifluoromethoxy)phenyl]methylthio]-7-(1-hydroxypropan-2-ylamino)-3H-thiazolo[4,5-d]pyrimidin-2-one IUPAC Name: 5-[[3-chloro-4-(trifluoromethoxy)phenyl]methylsulfanyl]-7-(1-hydroxypropan-2-ylamino)-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one Traditional Name: 5-[[3-chloro-4-(trifluoromethoxy)benzyl]thio]-7-[(2-hydroxy-1-methyl-ethyl)amino]-3H-thiazolo[4,5-d]pyrimidin-2-one Formula: C16H14ClF3N4O3S2 MolecularWeight: 466.88557

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=CC(=C(C=C3)OC(F)(F)F)Cl

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=CC(=C(C=C3)OC(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N4O3S2/c1-7(5-25)21-12-11-13(24-15(26)29-11)23-14(22-12)28-6-8-2-3-10(9(17)4-8)27-16(18,19)20/h2-4,7,25H,5-6H2,1H3,(H2,21,22,23,24,26)