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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

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