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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)NC2=O)C

InChI

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