8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C17H28N6O3 MolecularWeight: 364.44262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H28N6O3/c1-4-21-7-9-22(10-8-21)12-13-18-15-14(23(13)6-5-11-24)16(25)20(3)17(26)19(15)2/h24H,4-12H2,1-3H3