1,3-dimethyl-7-(9-oxidanyldecyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(9-oxidanyldecyl)purine-2,6-dione Openeye Name: 7-(9-hydroxydecyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(9-hydroxydecyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(9-hydroxydecyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(9-hydroxydecyl)-1,3-dimethyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H28N4O3/c1-13(22)10-8-6-4-5-7-9-11-21-12-18-15-14(21)16(23)20(3)17(24)19(15)2/h12-13,22H,4-11H2,1-3H3