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

Systemtic Name: 8-[3-(cyclohexylamino)propylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[3-(cyclohexylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[3-(cyclohexylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(cyclohexylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[3-(cyclohexylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C21H36N6O3 MolecularWeight: 420.54894

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCNC3CCCCC3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCNC3CCCCC3)N(C1=O)C)O

InChI

InChI=1S/C21H36N6O3/c1-15(28)9-6-7-14-27-19(29)17-18(26(2)21(27)30)25-20(24-17)23-13-8-12-22-16-10-4-3-5-11-16/h15-16,22,28H,3-14H2,1-2H3,(H2,23,24,25)