3,7-dimethyl-1-[5-oxidanyl-6-(4-phenylbutylamino)hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-(4-phenylbutylamino)hexyl]purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-(4-phenylbutylamino)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(4-phenylbutylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(4-phenylbutylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(4-phenylbutylamino)hexyl]-3,7-dimethyl-xanthine Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCCCCC3=CC=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H33N5O3/c1-26-17-25-21-20(26)22(30)28(23(31)27(21)2)15-9-7-13-19(29)16-24-14-8-6-12-18-10-4-3-5-11-18/h3-5,10-11,17,19,24,29H,6-9,12-16H2,1-2H3