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

Systemtic Name: 8-(4-ethyl-3-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-ethyl-3-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-ethyl-3-nitrophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(4-ethyl-3-nitrophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-ethyl-3-nitro-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5/c1-4-8-23-17-15(18(25)21-19(23)26)22(9-10-29-3)16(20-17)13-7-6-12(5-2)14(11-13)24(27)28/h6-7,11H,4-5,8-10H2,1-3H3,(H,21,25,26)