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

Systemtic Name: 7-butyl-8-(3-ethoxy-4-propoxy-phenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-(3-ethoxy-4-propoxy-phenyl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(3-ethoxy-4-propoxyphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(3-ethoxy-4-propoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-(3-ethoxy-4-propoxy-phenyl)-3-propyl-xanthine Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCCC)OCC)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCCC)OCC)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C23H32N4O4/c1-5-9-13-26-19-21(27(12-6-2)23(29)25-22(19)28)24-20(26)16-10-11-17(31-14-7-3)18(15-16)30-8-4/h10-11,15H,5-9,12-14H2,1-4H3,(H,25,28,29)