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

Systemtic Name: 7-hexyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-hexyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexyl-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-hexyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-hexyl-8-[[4-(2-hydroxyethyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C20H34N6O3 MolecularWeight: 406.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C20H34N6O3/c1-4-5-6-7-8-26-16(15-25-11-9-24(10-12-25)13-14-27)21-18-17(26)19(28)23(3)20(29)22(18)2/h27H,4-15H2,1-3H3