9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H19N5O5/c1-10-7-11(2)9-12(8-10)27-6-5-21-14-13(18-16(21)22(25)26)15(23)20(4)17(24)19(14)3/h7-9H,5-6H2,1-4H3