8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-ethoxy-4-propoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(3-ethoxy-4-propoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)CCOC

InChI

InChI=1S/C22H30N4O5/c1-5-10-26-20-18(21(27)24-22(26)28)25(11-13-29-4)19(23-20)15-8-9-16(31-12-6-2)17(14-15)30-7-3/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,27,28)