8-(chloromethyl)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(chloromethyl)-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C14H21ClN4O3 MolecularWeight: 328.79454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)CCl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)CCl)N(C1=O)C)O

InChI

InChI=1S/C14H21ClN4O3/c1-9(20)6-4-5-7-19-13(21)11-12(18(3)14(19)22)16-10(8-15)17(11)2/h9,20H,4-8H2,1-3H3