1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride Openeye Name: 3-isobutyl-1-methyl-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride CAS Name: 1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride IUPAC Name: 1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride Traditional Name: 3-isobutyl-1-methyl-7-(2H-pyridin-1-ylmethyl)xanthine chloride Formula: C16H21ClN5O2- MolecularWeight: 350.82324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H21N5O2.ClH/c1-12(2)9-21-14-13(15(22)18(3)16(21)23)20(10-17-14)11-19-7-5-4-6-8-19;/h4-7,10,12H,8-9,11H2,1-3H3;1H/p-1