9-[2-nitro-1-(oxan-2-yloxy)propan-2-yl]purin-6-amine

Systemtic Name: 9-[2-nitro-1-(oxan-2-yloxy)propan-2-yl]purin-6-amine Openeye Name: 9-(1-methyl-1-nitro-2-tetrahydropyran-2-yloxy-ethyl)purin-6-amine CAS Name: 9-[2-nitro-1-(2-oxanyloxy)propan-2-yl]-6-purinamine IUPAC Name: 9-[2-nitro-1-(oxan-2-yloxy)propan-2-yl]purin-6-amine Traditional Name: [9-(1-methyl-1-nitro-2-tetrahydropyran-2-yloxy-ethyl)purin-6-yl]amine Formula: C13H18N6O4 MolecularWeight: 322.31982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O4/c1-13(19(20)21,6-23-9-4-2-3-5-22-9)18-8-17-10-11(14)15-7-16-12(10)18/h7-9H,2-6H2,1H3,(H2,14,15,16)