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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C19H32N6O3/c1-14(2)5-6-25-15(13-24-9-7-23(8-10-24)11-12-26)20-17-16(25)18(27)22(4)19(28)21(17)3/h14,26H,5-13H2,1-4H3