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6,8-bis(iodanyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
6,8-bis(iodanyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC=C1CN2C=NC3=C(C=C(C=C3C2=O)I)I)C(F)(F)F
Isomeric SMILES
C1=CC(=CC=C1CN2C=NC3=C(C=C(C=C3C2=O)I)I)C(F)(F)F
InChI
InChI=1S/C16H9F3I2N2O/c17-16(18,19)10-3-1-9(2-4-10)7-23-8-22-14-12(15(23)24)5-11(20)6-13(14)21/h1-6,8H,7H2
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