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

Systemtic Name: 6-chloranyl-9-[2-nitro-1-(oxan-2-yloxy)propan-2-yl]purin-2-amine Openeye Name: 6-chloro-9-(1-methyl-1-nitro-2-tetrahydropyran-2-yloxy-ethyl)purin-2-amine CAS Name: 6-chloro-9-[2-nitro-1-(2-oxanyloxy)propan-2-yl]-2-purinamine IUPAC Name: 6-chloro-9-[2-nitro-1-(oxan-2-yloxy)propan-2-yl]purin-2-amine Traditional Name: [6-chloro-9-(1-methyl-1-nitro-2-tetrahydropyran-2-yloxy-ethyl)purin-2-yl]amine Formula: C13H17ClN6O4 MolecularWeight: 356.76488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1CCCCO1)(N2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-]

Isomeric SMILES

CC(COC1CCCCO1)(N2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN6O4/c1-13(20(21)22,6-24-8-4-2-3-5-23-8)19-7-16-9-10(14)17-12(15)18-11(9)19/h7-8H,2-6H2,1H3,(H2,15,17,18)