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

Systemtic Name: 1,3-dimethyl-9-[2-(2-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione Openeye Name: 1,3-dimethyl-9-[2-(2-methylphenoxy)ethyl]-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-9-[2-(2-methylphenoxy)ethyl]-8-nitropurine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[2-(2-methylphenoxy)ethyl]-8-nitropurine-2,6-dione Traditional Name: 1,3-dimethyl-9-[2-(2-methylphenoxy)ethyl]-8-nitro-xanthine Formula: C16H17N5O5 MolecularWeight: 359.33668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c1-10-6-4-5-7-11(10)26-9-8-20-13-12(17-15(20)21(24)25)14(22)19(3)16(23)18(13)2/h4-7H,8-9H2,1-3H3