8-[(dibutylamino)methylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-[(dibutylamino)methylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-[(dibutylamino)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(dibutylamino)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibutylamino)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(dibutylamino)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C22H40N6O3 MolecularWeight: 436.5914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCCCN(CCCC)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

InChI=1S/C22H40N6O3/c1-6-8-13-27(14-9-7-2)16-23-21-24-19-18(25(21)4)20(30)28(22(31)26(19)5)15-11-10-12-17(3)29/h17,29H,6-16H2,1-5H3,(H,23,24)