1,3-dimethyl-7-[4-(oxiran-2-yl)butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-(oxiran-2-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(oxiran-2-yl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-(2-oxiranyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-(oxiran-2-yl)butyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-(oxiran-2-yl)butyl]xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC3CO3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC3CO3

InChI

InChI=1S/C13H18N4O3/c1-15-11-10(12(18)16(2)13(15)19)17(8-14-11)6-4-3-5-9-7-20-9/h8-9H,3-7H2,1-2H3