7-ethyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-ethyl-8-[4-(2-hydroxyethyl)piperazino]-3-methyl-xanthine Formula: C14H22N6O3 MolecularWeight: 322.36288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N6O3/c1-3-20-10-11(17(2)14(23)16-12(10)22)15-13(20)19-6-4-18(5-7-19)8-9-21/h21H,3-9H2,1-2H3,(H,16,22,23)