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

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-(6-oxidanylhexylamino)hexyl]purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-(6-hydroxyhexylamino)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(6-hydroxyhexylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(6-hydroxyhexylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(6-hydroxyhexylamino)hexyl]-3,7-dimethyl-xanthine Formula: C19H33N5O4 MolecularWeight: 395.49642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCCCCCCO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCCCCCCO)O

InChI

InChI=1S/C19H33N5O4/c1-22-14-21-17-16(22)18(27)24(19(28)23(17)2)11-7-5-9-15(26)13-20-10-6-3-4-8-12-25/h14-15,20,25-26H,3-13H2,1-2H3