8-(diethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(diethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(diethylamino)-3-methyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H21N5O2/c1-4-21(5-2)16-18-14-13(15(23)19-17(24)20(14)3)22(16)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,19,23,24)