8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N6O2/c1-4-6-7-8-23-13-14(20(3)17(25)19-15(13)24)18-16(23)22-11-9-21(5-2)10-12-22/h4-12H2,1-3H3,(H,19,24,25)