N-(3-iodanyl-4-phenylmethoxy-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-iodanyl-4-phenylmethoxy-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: N-(4-benzyloxy-3-iodo-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: N-(3-iodo-4-phenylmethoxyphenyl)-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-(3-iodo-4-phenylmethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: (4-benzoxy-3-iodo-phenyl)-(6,7-dimethoxyquinazolin-4-yl)amine hydrochloride Formula: C23H21ClIN3O3 MolecularWeight: 549.78861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)OC.Cl

InChI

InChI=1S/C23H20IN3O3.ClH/c1-28-21-11-17-19(12-22(21)29-2)25-14-26-23(17)27-16-8-9-20(18(24)10-16)30-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,25,26,27);1H