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

Systemtic Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-8-(3-ethoxy-4-propoxyphenyl)-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-8-(3-ethoxy-4-propoxyphenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-(2-methoxyethyl)xanthine Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCCC)OCC)CCOC

InChI

InChI=1S/C23H32N4O5/c1-5-8-11-27-21-19(22(28)25-23(27)29)26(12-14-30-4)20(24-21)16-9-10-17(32-13-6-2)18(15-16)31-7-3/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,28,29)