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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CN=CC=C3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CN=CC=C3)N(C1=O)C)O

InChI

InChI=1S/C18H24N6O3/c1-12(25)6-3-4-9-24-16(26)14-15(23(2)18(24)27)22-17(21-14)20-11-13-7-5-8-19-10-13/h5,7-8,10,12,25H,3-4,6,9,11H2,1-2H3,(H2,20,21,22)