3,7-diethyl-1-[3-(3-methyloxiran-2-yl)propyl]purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCC3C(O3)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCC3C(O3)C

InChI

InChI=1S/C15H22N4O3/c1-4-17-9-16-13-12(17)14(20)19(15(21)18(13)5-2)8-6-7-11-10(3)22-11/h9-11H,4-8H2,1-3H3