7-(2-diethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione dihydrochloride

Systemtic Name: 7-(2-diethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione dihydrochloride Openeye Name: 3-benzyl-7-(2-diethylaminoethyl)purine-2,6-dione dihydrochloride CAS Name: 7-(2-diethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione dihydrochloride IUPAC Name: 3-benzyl-7-(2-diethylaminoethyl)purine-2,6-dione dihydrochloride Traditional Name: 3-benzyl-7-(2-diethylaminoethyl)xanthine dihydrochloride Formula: C18H25Cl2N5O2 MolecularWeight: 414.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H23N5O2.2ClH/c1-3-21(4-2)10-11-22-13-19-16-15(22)17(24)20-18(25)23(16)12-14-8-6-5-7-9-14;;/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24,25);2*1H