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

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-(pyridin-2-ylmethylamino)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-(2-pyridylmethylamino)-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(2-pyridinylmethylamino)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-(pyridin-2-ylmethylamino)-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(2-pyridylmethylamino)-7H-purine-2,6-quinone Formula: C18H24N6O3 MolecularWeight: 372.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=N3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=N3)N(C1=O)C)O

InChI

InChI=1S/C18H24N6O3/c1-12(25)7-4-6-10-24-16(26)14-15(23(2)18(24)27)22-17(21-14)20-11-13-8-3-5-9-19-13/h3,5,8-9,12,25H,4,6-7,10-11H2,1-2H3,(H2,20,21,22)