4-[[[2,4-bis(azanyl)-5-fluoranyl-quinazolin-6-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2,4-bis(azanyl)-5-fluoranyl-quinazolin-6-yl]amino]methyl]benzoic acid Openeye Name: 4-[[(2,4-diamino-5-fluoro-quinazolin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2,4-diamino-5-fluoro-6-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2,4-diamino-5-fluoroquinazolin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2,4-diamino-5-fluoro-quinazolin-6-yl)amino]methyl]benzoic acid Formula: C16H14FN5O2 MolecularWeight: 327.313063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)N=C(N=C3N)N)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)N=C(N=C3N)N)F)C(=O)O

InChI

InChI=1S/C16H14FN5O2/c17-13-11(6-5-10-12(13)14(18)22-16(19)21-10)20-7-8-1-3-9(4-2-8)15(23)24/h1-6,20H,7H2,(H,23,24)(H4,18,19,21,22)