7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(4-nitrophenyl)-3-propyl-xanthine Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5/c1-3-8-21-15-13(16(23)19-17(21)24)20(9-10-27-2)14(18-15)11-4-6-12(7-5-11)22(25)26/h4-7H,3,8-10H2,1-2H3,(H,19,23,24)