6-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-fluoranyl-4-phenylmethoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-fluoranyl-4-phenylmethoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(aminomethyl)thiazol-4-yl]-2-(4-benzyloxy-3-fluoro-phenyl)quinazolin-4-amine CAS Name: 6-[2-(aminomethyl)-4-thiazolyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-fluoro-4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [4-[4-amino-2-(4-benzoxy-3-fluoro-phenyl)quinazolin-6-yl]thiazol-2-yl]methylamine Formula: C25H20FN5OS MolecularWeight: 457.522603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=C(C=C(C=C4)C5=CSC(=N5)CN)C(=N3)N)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=C(C=C(C=C4)C5=CSC(=N5)CN)C(=N3)N)F

InChI

InChI=1S/C25H20FN5OS/c26-19-11-17(7-9-22(19)32-13-15-4-2-1-3-5-15)25-30-20-8-6-16(10-18(20)24(28)31-25)21-14-33-23(12-27)29-21/h1-11,14H,12-13,27H2,(H2,28,30,31)