8-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-[5-(4-chloro-2-nitrophenyl)-2-furanyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C21H20ClN5O6 MolecularWeight: 473.8664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])CCOC

InChI

InChI=1S/C21H20ClN5O6/c1-3-8-26-19-17(20(28)24-21(26)29)25(9-10-32-2)18(23-19)16-7-6-15(33-16)13-5-4-12(22)11-14(13)27(30)31/h4-7,11H,3,8-10H2,1-2H3,(H,24,28,29)