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

Systemtic Name: 8-[3-(3-azanylpropylamino)propylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[3-(3-aminopropylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[3-(3-aminopropylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(3-aminopropylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[3-(3-aminopropylamino)propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C18H33N7O3 MolecularWeight: 395.49972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N7O3/c1-13(26)7-3-4-12-25-16(27)14-15(24(2)18(25)28)23-17(22-14)21-11-6-10-20-9-5-8-19/h13,20,26H,3-12,19H2,1-2H3,(H2,21,22,23)