8-chloranyl-1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(tetrahydropyran-2-ylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(2-oxanylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(tetrahydropyran-2-ylmethyl)xanthine Formula: C13H17ClN4O3 MolecularWeight: 312.75208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3CCCCO3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3CCCCO3

InChI

InChI=1S/C13H17ClN4O3/c1-16-10-9(11(19)17(2)13(16)20)18(12(14)15-10)7-8-5-3-4-6-21-8/h8H,3-7H2,1-2H3