N4-cyclopentyl-N2-[[2-[2-(fluoranylmethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine

Systemtic Name: N4-cyclopentyl-N2-[[2-[2-(fluoranylmethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine Openeye Name: N4-cyclopentyl-N2-[[2-[2-(fluoromethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine CAS Name: N4-cyclopentyl-N2-[[2-[[2-(fluoromethyl)phenyl]thio]phenyl]methyl]quinazoline-2,4-diamine IUPAC Name: 4-N-cyclopentyl-2-N-[[2-[2-(fluoromethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine Traditional Name: cyclopentyl-[2-[[2-[[2-(fluoromethyl)phenyl]thio]benzyl]amino]quinazolin-4-yl]amine Formula: C27H27FN4S MolecularWeight: 458.593483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CF

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4SC5=CC=CC=C5CF

InChI

InChI=1S/C27H27FN4S/c28-17-19-9-1-7-15-24(19)33-25-16-8-2-10-20(25)18-29-27-31-23-14-6-5-13-22(23)26(32-27)30-21-11-3-4-12-21/h1-2,5-10,13-16,21H,3-4,11-12,17-18H2,(H2,29,30,31,32)