2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-3-butyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methylthio]-3-butyl-quinazolin-4-one Formula: C22H22FN7OS MolecularWeight: 451.519783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H22FN7OS/c1-2-3-12-30-19(31)16-6-4-5-7-17(16)26-22(30)32-13-18-27-20(24)29-21(28-18)25-15-10-8-14(23)9-11-15/h4-11H,2-3,12-13H2,1H3,(H3,24,25,27,28,29)