9-[2,3-dimethyl-3-nitro-1-(oxan-2-yloxy)butan-2-yl]purin-6-amine

Systemtic Name: 9-[2,3-dimethyl-3-nitro-1-(oxan-2-yloxy)butan-2-yl]purin-6-amine Openeye Name: 9-[1,2-dimethyl-2-nitro-1-(tetrahydropyran-2-yloxymethyl)propyl]purin-6-amine CAS Name: 9-[2,3-dimethyl-3-nitro-1-(2-oxanyloxy)butan-2-yl]-6-purinamine IUPAC Name: 9-[2,3-dimethyl-3-nitro-1-(oxan-2-yloxy)butan-2-yl]purin-6-amine Traditional Name: [9-[1,2-dimethyl-2-nitro-1-(tetrahydropyran-2-yloxymethyl)propyl]purin-6-yl]amine Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(COC1CCCCO1)N2C=NC3=C2N=CN=C3N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C)(COC1CCCCO1)N2C=NC3=C2N=CN=C3N)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O4/c1-15(2,22(23)24)16(3,8-26-11-6-4-5-7-25-11)21-10-20-12-13(17)18-9-19-14(12)21/h9-11H,4-8H2,1-3H3,(H2,17,18,19)