tert-butyl 4-[(6-iodanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzoate

Systemtic Name: tert-butyl 4-[(6-iodanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzoate Openeye Name: tert-butyl 4-[(6-iodo-4-oxo-quinazolin-3-yl)methyl]benzoate CAS Name: 4-[(6-iodo-4-oxo-3-quinazolinyl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-iodo-4-oxoquinazolin-3-yl)methyl]benzoate Traditional Name: 4-[(6-iodo-4-keto-quinazolin-3-yl)methyl]benzoic acid tert-butyl ester Formula: C20H19IN2O3 MolecularWeight: 462.28093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)I

InChI

InChI=1S/C20H19IN2O3/c1-20(2,3)26-19(25)14-6-4-13(5-7-14)11-23-12-22-17-9-8-15(21)10-16(17)18(23)24/h4-10,12H,11H2,1-3H3