5-[7-methoxy-4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-carbaldehyde hydrochloride

Systemtic Name: 5-[7-methoxy-4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-carbaldehyde hydrochloride Openeye Name: 5-[4-(4-benzyloxyanilino)-7-methoxy-quinazolin-6-yl]furan-2-carbaldehyde hydrochloride CAS Name: 5-[7-methoxy-4-(4-phenylmethoxyanilino)-6-quinazolinyl]-2-furancarboxaldehyde hydrochloride IUPAC Name: 5-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]furan-2-carbaldehyde hydrochloride Traditional Name: 5-[4-(4-benzoxyanilino)-7-methoxy-quinazolin-6-yl]furfural hydrochloride Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(O5)C=O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(O5)C=O.Cl

InChI

InChI=1S/C27H21N3O4.ClH/c1-32-26-14-24-22(13-23(26)25-12-11-21(15-31)34-25)27(29-17-28-24)30-19-7-9-20(10-8-19)33-16-18-5-3-2-4-6-18;/h2-15,17H,16H2,1H3,(H,28,29,30);1H