9-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C16H14FN5O5 MolecularWeight: 375.311263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)N2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)N2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14FN5O5/c1-8(12(23)9-4-6-10(17)7-5-9)21-13-11(18-15(21)22(26)27)14(24)20(3)16(25)19(13)2/h4-8H,1-3H3/t8-/m1/s1