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

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

Systemtic Name:1,3-dimethyl-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride
Openeye Name:1,3-dimethyl-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride
CAS Name:1,3-dimethyl-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride
IUPAC Name:1,3-dimethyl-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione chloride
Traditional Name:1,3-dimethyl-7-(2H-pyridin-1-ylmethyl)xanthine chloride
Formula: C13H15ClN5O2-
MolecularWeight: 308.7435
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H15N5O2.ClH/c1-15-11-10(12(19)16(2)13(15)20)18(8-14-11)9-17-6-4-3-5-7-17;/h3-6,8H,7,9H2,1-2H3;1H/p-1


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