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

Systemtic Name: 3-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl]-6-bromanyl-quinazolin-4-one Openeye Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-bromo-quinazolin-4-one CAS Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-bromoquinazolin-4-one Traditional Name: 3-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl]-6-bromo-quinazolin-4-one Formula: C18H13BrFN7O MolecularWeight: 442.244523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CN3C=NC4=C(C3=O)C=C(C=C4)Br)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CN3C=NC4=C(C3=O)C=C(C=C4)Br)F

InChI

InChI=1S/C18H13BrFN7O/c19-10-1-6-14-13(7-10)16(28)27(9-22-14)8-15-24-17(21)26-18(25-15)23-12-4-2-11(20)3-5-12/h1-7,9H,8H2,(H3,21,23,24,25,26)