9-(2-azidononan-3-yl)-2-cyclohexyl-3H-purin-6-one

Systemtic Name: 9-(2-azidononan-3-yl)-2-cyclohexyl-3H-purin-6-one Openeye Name: 9-[1-(1-azidoethyl)heptyl]-2-cyclohexyl-3H-purin-6-one CAS Name: 9-(2-azidononan-3-yl)-2-cyclohexyl-3H-purin-6-one IUPAC Name: 9-(2-azidononan-3-yl)-2-cyclohexyl-3H-purin-6-one Traditional Name: 9-[1-(1-azidoethyl)heptyl]-2-cyclohexyl-3H-purin-6-one Formula: C20H31N7O MolecularWeight: 385.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)N=[N+]=[N-])N1C=NC2=C1NC(=NC2=O)C3CCCCC3

Isomeric SMILES

CCCCCCC(C(C)N=[N+]=[N-])N1C=NC2=C1NC(=NC2=O)C3CCCCC3

InChI

InChI=1S/C20H31N7O/c1-3-4-5-9-12-16(14(2)25-26-21)27-13-22-17-19(27)23-18(24-20(17)28)15-10-7-6-8-11-15/h13-16H,3-12H2,1-2H3,(H,23,24,28)