9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H17N5O5/c1-9-5-6-11(10(2)7-9)12(23)8-21-14-13(18-16(21)22(26)27)15(24)20(4)17(25)19(14)3/h5-7H,8H2,1-4H3