N-(3-chloranyl-4-fluoranyl-phenyl)-6-nitro-7-(oxan-4-ylmethoxy)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-nitro-7-(oxan-4-ylmethoxy)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-nitro-7-(tetrahydropyran-4-ylmethoxy)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-nitro-7-(4-oxanylmethoxy)-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-nitro-7-(oxan-4-ylmethoxy)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-nitro-7-(tetrahydropyran-4-ylmethoxy)quinazolin-4-yl]amine Formula: C20H18ClFN4O4 MolecularWeight: 432.832723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClFN4O4/c21-15-7-13(1-2-16(15)22)25-20-14-8-18(26(27)28)19(9-17(14)23-11-24-20)30-10-12-3-5-29-6-4-12/h1-2,7-9,11-12H,3-6,10H2,(H,23,24,25)