1,7-bis(1-oxidanylhexyl)-3-propyl-purine-2,6-dione

Systemtic Name: 1,7-bis(1-oxidanylhexyl)-3-propyl-purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxyhexyl)-3-propyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxyhexyl)-3-propylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxyhexyl)-3-propylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxyhexyl)-3-propyl-xanthine Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCC)C(CCCCC)O)O

Isomeric SMILES

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCC)C(CCCCC)O)O

InChI

InChI=1S/C20H34N4O4/c1-4-7-9-11-15(25)23-14-21-18-17(23)19(27)24(16(26)12-10-8-5-2)20(28)22(18)13-6-3/h14-16,25-26H,4-13H2,1-3H3