9-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-nitro-xanthine Formula: C19H21N5O8 MolecularWeight: 447.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O8/c1-10(25)11-5-6-13(14(7-11)31-4)32-9-12(26)8-23-16-15(20-18(23)24(29)30)17(27)22(3)19(28)21(16)2/h5-7,12,26H,8-9H2,1-4H3