N-(2-chloranyl-5-methoxy-phenyl)-5-(oxan-4-yloxy)-7-phenylmethoxy-quinazolin-4-amine

Systemtic Name: N-(2-chloranyl-5-methoxy-phenyl)-5-(oxan-4-yloxy)-7-phenylmethoxy-quinazolin-4-amine Openeye Name: 7-benzyloxy-N-(2-chloro-5-methoxy-phenyl)-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(2-chloro-5-methoxyphenyl)-5-(4-oxanyloxy)-7-phenylmethoxy-4-quinazolinamine IUPAC Name: N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-phenylmethoxyquinazolin-4-amine Traditional Name: (7-benzoxy-5-tetrahydropyran-4-yloxy-quinazolin-4-yl)-(2-chloro-5-methoxy-phenyl)amine Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)NC2=NC=NC3=CC(=CC(=C32)OC4CCOCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)NC2=NC=NC3=CC(=CC(=C32)OC4CCOCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O4/c1-32-20-7-8-22(28)23(13-20)31-27-26-24(29-17-30-27)14-21(34-16-18-5-3-2-4-6-18)15-25(26)35-19-9-11-33-12-10-19/h2-8,13-15,17,19H,9-12,16H2,1H3,(H,29,30,31)