tert-butyl 4-[[6-iodanyl-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[6-iodanyl-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]methyl]benzoate Openeye Name: tert-butyl 4-[(6-iodo-1-methyl-2,4-dioxo-quinazolin-3-yl)methyl]benzoate CAS Name: 4-[(6-iodo-1-methyl-2,4-dioxo-3-quinazolinyl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-iodo-1-methyl-2,4-dioxoquinazolin-3-yl)methyl]benzoate Traditional Name: 4-[(6-iodo-2,4-diketo-1-methyl-quinazolin-3-yl)methyl]benzoic acid tert-butyl ester Formula: C21H21IN2O4 MolecularWeight: 492.30691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN2O4/c1-21(2,3)28-19(26)14-7-5-13(6-8-14)12-24-18(25)16-11-15(22)9-10-17(16)23(4)20(24)27/h5-11H,12H2,1-4H3