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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

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