tert-butyl 2-(2-chloranyl-5-iodanyl-6,7-dimethoxy-quinazolin-4-yl)iminopyridine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-chloranyl-5-iodanyl-6,7-dimethoxy-quinazolin-4-yl)iminopyridine-1-carboxylate Openeye Name: tert-butyl 2-(2-chloro-5-iodo-6,7-dimethoxy-quinazolin-4-yl)iminopyridine-1-carboxylate CAS Name: 2-[(2-chloro-5-iodo-6,7-dimethoxy-4-quinazolinyl)imino]-1-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-5-iodo-6,7-dimethoxyquinazolin-4-yl)iminopyridine-1-carboxylate Traditional Name: 2-(2-chloro-5-iodo-6,7-dimethoxy-quinazolin-4-yl)iminopyridine-1-carboxylic acid tert-butyl ester Formula: C20H20ClIN4O4 MolecularWeight: 542.75467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=CC1=NC2=NC(=NC3=CC(=C(C(=C32)I)OC)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=CC1=NC2=NC(=NC3=CC(=C(C(=C32)I)OC)OC)Cl

InChI

InChI=1S/C20H20ClIN4O4/c1-20(2,3)30-19(27)26-9-7-6-8-13(26)24-17-14-11(23-18(21)25-17)10-12(28-4)16(29-5)15(14)22/h6-10H,1-5H3