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

Systemtic Name: 3-butyl-7-methyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-1-[3-(2-oxiranyl)propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione Traditional Name: 3-butyl-7-methyl-1-[3-(oxiran-2-yl)propyl]xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC3CO3)N(C=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC3CO3)N(C=N2)C

InChI

InChI=1S/C15H22N4O3/c1-3-4-7-18-13-12(17(2)10-16-13)14(20)19(15(18)21)8-5-6-11-9-22-11/h10-11H,3-9H2,1-2H3