9-[(5-chloranyl-2-methoxy-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(5-chloranyl-2-methoxy-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(5-chloro-2-methoxy-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(5-chloro-2-methoxyphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(5-chloro-2-methoxyphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(5-chloro-2-methoxy-benzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C15H14ClN5O5 MolecularWeight: 379.75516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN5O5/c1-18-12-11(13(22)19(2)15(18)23)17-14(21(24)25)20(12)7-8-6-9(16)4-5-10(8)26-3/h4-6H,7H2,1-3H3