8-[2-(dibutylamino)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[2-(dibutylamino)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[2-(dibutylamino)ethylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[2-(dibutylamino)ethylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(dibutylamino)ethylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[2-(dibutylamino)ethylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C22H40N6O3 MolecularWeight: 436.5914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCCCN(CCCC)CCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

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