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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c1-4-26-11-8-6-5-7-10(11)9-20-13-12(17-15(20)21(24)25)14(22)19(3)16(23)18(13)2/h5-8H,4,9H2,1-3H3