2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(2-fluoranylethyl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(2-fluoranylethyl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]glutarate Formula: C23H22FN5O6-2 MolecularWeight: 483.449083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])N(CCF)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])N(CCF)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C23H24FN5O6/c24-9-10-29(12-13-1-6-17-16(11-13)21(33)28-23(25)27-17)15-4-2-14(3-5-15)20(32)26-18(22(34)35)7-8-19(30)31/h1-6,11,18H,7-10,12H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/p-2