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

Systemtic Name: 8-(2-chloroethylamino)-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-(2-chloroethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(2-chloroethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(2-chloroethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(2-chloroethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C14H22ClN5O3 MolecularWeight: 343.80918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN5O3/c1-9(21)5-3-4-8-20-12(22)10-11(19(2)14(20)23)18-13(17-10)16-7-6-15/h9,21H,3-8H2,1-2H3,(H2,16,17,18)