2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C18H16FN7OS MolecularWeight: 397.429343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)F)N

InChI

InChI=1S/C18H16FN7OS/c19-11-5-7-12(8-6-11)27-9-16-24-25-18(26(16)21)28-10-15-22-14-4-2-1-3-13(14)17(20)23-15/h1-8H,9-10,21H2,(H2,20,22,23)