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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-piperazino-xanthine Formula: C12H18N6O3 MolecularWeight: 294.30972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CCO

InChI

InChI=1S/C12H18N6O3/c1-16-9-8(10(20)15-12(16)21)18(6-7-19)11(14-9)17-4-2-13-3-5-17/h13,19H,2-7H2,1H3,(H,15,20,21)