3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-(2-diethylaminoethyl)-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-(2-diethylaminoethyl)-1,7-dimethylpurine-2,6-dione Traditional Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CCN(CC)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-11-10(15(3)9-14-11)12(19)16(4)13(18)20/h9H,5-8H2,1-4H3