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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O2/c1-12(2)5-6-23-13(11-22-9-7-20(3)8-10-22)18-15-14(23)16(24)19-17(25)21(15)4/h12H,5-11H2,1-4H3,(H,19,24,25)