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

Systemtic Name: 9-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H23N5O5/c1-11(15(26)12-7-9-13(10-8-12)20(2,3)4)24-16-14(21-18(24)25(29)30)17(27)23(6)19(28)22(16)5/h7-11H,1-6H3/t11-/m1/s1