5-(aminomethyl)-6-(furan-3-yl)-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: 5-(aminomethyl)-6-(furan-3-yl)-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: 5-(aminomethyl)-N-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6-(3-furyl)quinazolin-4-amine CAS Name: 5-(aminomethyl)-6-(3-furanyl)-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 5-(aminomethyl)-6-(furan-3-yl)-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [5-(aminomethyl)-6-(3-furyl)quinazolin-4-yl]-[4-benzoxy-3-(trifluoromethyl)phenyl]amine Formula: C27H21F3N4O2 MolecularWeight: 490.47645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=C(C=C4)C5=COC=C5)CN)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=C(C=C4)C5=COC=C5)CN)C(F)(F)F

InChI

InChI=1S/C27H21F3N4O2/c28-27(29,30)22-12-19(6-9-24(22)36-14-17-4-2-1-3-5-17)34-26-25-21(13-31)20(18-10-11-35-15-18)7-8-23(25)32-16-33-26/h1-12,15-16H,13-14,31H2,(H,32,33,34)