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

Systemtic Name: 2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-isopropyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methylthio]-3-isopropyl-quinazolin-4-one Formula: C21H20FN7OS MolecularWeight: 437.493203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C21H20FN7OS/c1-12(2)29-18(30)15-5-3-4-6-16(15)25-21(29)31-11-17-26-19(23)28-20(27-17)24-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H3,23,24,26,27,28)