methyl N-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purin-8-yl]carbamate CAS Name: N-[2-[[4-(trifluoromethyl)phenyl]methylthio]-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purin-8-yl]carbamate Traditional Name: N-[2-[[4-(trifluoromethyl)benzyl]thio]-7H-purin-8-yl]carbamic acid methyl ester Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O2S/c1-25-14(24)23-12-20-10-6-19-13(22-11(10)21-12)26-7-8-2-4-9(5-3-8)15(16,17)18/h2-6H,7H2,1H3,(H2,19,20,21,22,23,24)