8-(aminomethyl)-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-(aminomethyl)-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-(aminomethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(aminomethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(aminomethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(aminomethyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O3/c1-8(19)5-3-4-6-18-12(20)10-11(17(2)13(18)21)16-9(7-14)15-10/h8,19H,3-7,14H2,1-2H3,(H,15,16)