8-(2-chloranyl-5-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(2-chloranyl-5-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(2-chloro-5-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(2-chloro-5-nitrophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(2-chloro-5-nitrophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(2-chloro-5-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C17H18ClN5O5 MolecularWeight: 407.80832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)CCOC

InChI

InChI=1S/C17H18ClN5O5/c1-3-6-22-15-13(16(24)20-17(22)25)21(7-8-28-2)14(19-15)11-9-10(23(26)27)4-5-12(11)18/h4-5,9H,3,6-8H2,1-2H3,(H,20,24,25)