2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H20FN7OS MolecularWeight: 437.493203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C21H20FN7OS/c22-14-4-3-5-15(12-14)29-20(28-8-10-30-11-9-28)26-27-21(29)31-13-18-24-17-7-2-1-6-16(17)19(23)25-18/h1-7,12H,8-11,13H2,(H2,23,24,25)