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

Systemtic Name: methyl 4-[[[2,4-bis(azanyl)-5-fluoranyl-quinazolin-6-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[(2,4-diamino-5-fluoro-quinazolin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2,4-diamino-5-fluoro-6-quinazolinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2,4-diamino-5-fluoroquinazolin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2,4-diamino-5-fluoro-quinazolin-6-yl)amino]methyl]benzoic acid methyl ester Formula: C17H16FN5O2 MolecularWeight: 341.339643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)N=C(N=C3N)N)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)N=C(N=C3N)N)F

InChI

InChI=1S/C17H16FN5O2/c1-25-16(24)10-4-2-9(3-5-10)8-21-12-7-6-11-13(14(12)18)15(19)23-17(20)22-11/h2-7,21H,8H2,1H3,(H4,19,20,22,23)