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

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C22H27N5O5 MolecularWeight: 441.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H27N5O5/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-10-6-5-7-11-26)13-15(28)14-8-9-16(31-3)17(12-14)32-4/h8-9,12H,5-7,10-11,13H2,1-4H3