8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H27N5O5 MolecularWeight: 429.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(=O)C3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H27N5O5/c1-7-25(8-2)20-22-18-17(19(28)24(4)21(29)23(18)3)26(20)12-14(27)13-9-10-15(30-5)16(11-13)31-6/h9-11H,7-8,12H2,1-6H3