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1,3-dimethyl-8-nitro-7-[3-(oxan-2-yloxy)hexyl]purine-2,6-dione

1,3-dimethyl-8-nitro-7-[3-(oxan-2-yloxy)hexyl]purine-2,6-dione

Systemtic Name:1,3-dimethyl-8-nitro-7-[3-(oxan-2-yloxy)hexyl]purine-2,6-dione
Openeye Name:1,3-dimethyl-8-nitro-7-(3-tetrahydropyran-2-yloxyhexyl)purine-2,6-dione
CAS Name:1,3-dimethyl-8-nitro-7-[3-(2-oxanyloxy)hexyl]purine-2,6-dione
IUPAC Name:1,3-dimethyl-8-nitro-7-[3-(oxan-2-yloxy)hexyl]purine-2,6-dione
Traditional Name:1,3-dimethyl-8-nitro-7-(3-tetrahydropyran-2-yloxyhexyl)xanthine
Formula: C18H27N5O6
MolecularWeight: 409.43688
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)OC3CCCCO3


Isomeric SMILES

CCCC(CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)OC3CCCCO3


InChI

InChI=1S/C18H27N5O6/c1-4-7-12(29-13-8-5-6-11-28-13)9-10-22-14-15(19-17(22)23(26)27)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3


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