N,N-dimethylmethanamide; 3-[(6-iodanylquinazolin-4-yl)amino]benzoic acid; hydrochloride

Systemtic Name: N,N-dimethylmethanamide; 3-[(6-iodanylquinazolin-4-yl)amino]benzoic acid; hydrochloride Openeye Name: N,N-dimethylformamide; 3-[(6-iodoquinazolin-4-yl)amino]benzoic acid; hydrochloride CAS Name: N,N-dimethylformamide; 3-[(6-iodo-4-quinazolinyl)amino]benzoic acid; hydrochloride IUPAC Name: N,N-dimethylformamide; 3-[(6-iodoquinazolin-4-yl)amino]benzoic acid; hydrochloride Traditional Name: N,N-dimethylformamide; 3-[(6-iodoquinazolin-4-yl)amino]benzoic acid; hydrochloride Formula: C18H18ClIN4O3 MolecularWeight: 500.71799

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=O.C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)I)C(=O)O.Cl

Isomeric SMILES

CN(C)C=O.C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)I)C(=O)O.Cl

InChI

InChI=1S/C15H10IN3O2.C3H7NO.ClH/c16-10-4-5-13-12(7-10)14(18-8-17-13)19-11-3-1-2-9(6-11)15(20)21;1-4(2)3-5;/h1-8H,(H,20,21)(H,17,18,19);3H,1-2H3;1H