8-chloranyl-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenoxy)ethyl]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(=N2)Cl)CCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN5O5/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)6-7-26-10-5-3-4-9(8-10)21(24)25/h3-5,8H,6-7H2,1-2H3