2-[[4-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]-2-fluoranyl-pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]-2-fluoranyl-pentanedioic acid Openeye Name: 2-[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-2-fluoro-pentanedioic acid CAS Name: 2-[[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]-1-cyclohex-3-enyl]-oxomethyl]amino]-2-fluoropentanedioic acid IUPAC Name: 2-[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-2-fluoropentanedioic acid Traditional Name: 2-[[4-[(2-amino-5-formyl-4-keto-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-2-fluoro-glutaric acid Formula: C20H24FN7O7 MolecularWeight: 493.445663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1C(=O)NC(CCC(=O)O)(C(=O)O)F)NCC2=CNC3=C(N2C=O)C(=O)N=C(N3)N

Isomeric SMILES

C1CC(=CCC1C(=O)NC(CCC(=O)O)(C(=O)O)F)NCC2=CNC3=C(N2C=O)C(=O)N=C(N3)N

InChI

InChI=1S/C20H24FN7O7/c21-20(18(34)35,6-5-13(30)31)27-16(32)10-1-3-11(4-2-10)23-7-12-8-24-15-14(28(12)9-29)17(33)26-19(22)25-15/h3,8-10,23H,1-2,4-7H2,(H,27,32)(H,30,31)(H,34,35)(H4,22,24,25,26,33)