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

Systemtic Name: 7-(2-ethoxyethyl)-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[[4-(2-hydroxyethyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C18H30N6O4/c1-4-28-12-10-24-14(13-23-7-5-22(6-8-23)9-11-25)19-16-15(24)17(26)21(3)18(27)20(16)2/h25H,4-13H2,1-3H3