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

Systemtic Name: 1-(2-hydroxyethyl)-7-(6-oxidanyldecyl)-3H-purine-2,6-dione Openeye Name: 7-(6-hydroxydecyl)-1-(2-hydroxyethyl)-3H-purine-2,6-dione CAS Name: 7-(6-hydroxydecyl)-1-(2-hydroxyethyl)-3H-purine-2,6-dione IUPAC Name: 7-(6-hydroxydecyl)-1-(2-hydroxyethyl)-3H-purine-2,6-dione Traditional Name: 7-(6-hydroxydecyl)-1-(2-hydroxyethyl)xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCO)O

Isomeric SMILES

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CCO)O

InChI

InChI=1S/C17H28N4O4/c1-2-3-7-13(23)8-5-4-6-9-20-12-18-15-14(20)16(24)21(10-11-22)17(25)19-15/h12-13,22-23H,2-11H2,1H3,(H,19,25)