9-(1-azido-5-phenyl-pentan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(1-azido-5-phenyl-pentan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(azidomethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(1-azido-5-phenylpentan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(1-azido-5-phenylpentan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(azidomethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C25H27N7O2 MolecularWeight: 457.52758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)CN=[N+]=[N-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)CN=[N+]=[N-]

InChI

InChI=1S/C25H27N7O2/c1-2-15-34-21-14-7-6-13-20(21)23-29-24-22(25(33)30-23)27-17-32(24)19(16-28-31-26)12-8-11-18-9-4-3-5-10-18/h3-7,9-10,13-14,17,19H,2,8,11-12,15-16H2,1H3,(H,29,30,33)