7-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(coumaran-5-ylmethyl)piperazino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C24H30N6O4 MolecularWeight: 466.5328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H30N6O4/c1-26-22-21(23(32)27(2)24(26)33)30(16-25-22)8-3-4-20(31)29-11-9-28(10-12-29)15-17-5-6-19-18(14-17)7-13-34-19/h5-6,14,16H,3-4,7-13,15H2,1-2H3