N4-(3-chloranyl-4-fluoranyl-phenyl)-7-(oxan-4-ylmethoxy)quinazoline-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-7-(oxan-4-ylmethoxy)quinazoline-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-7-(tetrahydropyran-4-ylmethoxy)quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-7-(4-oxanylmethoxy)quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-7-(oxan-4-ylmethoxy)quinazoline-4,6-diamine Traditional Name: [6-amino-7-(tetrahydropyran-4-ylmethoxy)quinazolin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C20H20ClFN4O2 MolecularWeight: 402.849803

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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

Isomeric SMILES

C1COCCC1COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C20H20ClFN4O2/c21-15-7-13(1-2-16(15)22)26-20-14-8-17(23)19(9-18(14)24-11-25-20)28-10-12-3-5-27-6-4-12/h1-2,7-9,11-12H,3-6,10,23H2,(H,24,25,26)