1,3-dibutyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dibutyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dibutyl-7-[2-(2-oxiranyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione Traditional Name: 1,3-dibutyl-7-[2-(oxiran-2-yl)ethyl]xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCC3CO3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCC3CO3

InChI

InChI=1S/C17H26N4O3/c1-3-5-8-20-15-14(16(22)21(17(20)23)9-6-4-2)19(12-18-15)10-7-13-11-24-13/h12-13H,3-11H2,1-2H3