7-(2-methoxyethyl)-8-(4-methyl-3-nitro-phenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-methyl-3-nitro-phenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(4-methyl-3-nitro-phenyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-methyl-3-nitrophenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-methyl-3-nitrophenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(4-methyl-3-nitro-phenyl)-3-propyl-xanthine Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-4-7-22-16-14(17(24)20-18(22)25)21(8-9-28-3)15(19-16)12-6-5-11(2)13(10-12)23(26)27/h5-6,10H,4,7-9H2,1-3H3,(H,20,24,25)