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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[4-(2-hydroxyethyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C19H32N6O3 MolecularWeight: 392.49578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C19H32N6O3/c1-4-5-6-7-25-15(14-24-10-8-23(9-11-24)12-13-26)20-17-16(25)18(27)22(3)19(28)21(17)2/h26H,4-14H2,1-3H3