3-butyl-8-[4-(3-methylbutoxy)phenyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[4-(3-methylbutoxy)phenyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(4-isopentyloxyphenyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[4-(3-methylbutoxy)phenyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[4-(3-methylbutoxy)phenyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-(4-isoamoxyphenyl)-7-propyl-xanthine Formula: C23H32N4O3 MolecularWeight: 412.52518

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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(C)C)CCC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-5-7-14-27-21-19(22(28)25-23(27)29)26(13-6-2)20(24-21)17-8-10-18(11-9-17)30-15-12-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H,25,28,29)