3,7-dimethyl-1-(10-oxidanylundecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(10-oxidanylundecyl)purine-2,6-dione Openeye Name: 1-(10-hydroxyundecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(10-hydroxyundecyl)-3,7-dimethyl-xanthine Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C18H30N4O3/c1-14(23)11-9-7-5-4-6-8-10-12-22-17(24)15-16(19-13-20(15)2)21(3)18(22)25/h13-14,23H,4-12H2,1-3H3