9-(4-azido-1-phenyl-pentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(4-azido-1-phenyl-pentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-(2-azido-1-phenethyl-propyl)-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(4-azido-1-phenylpentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(4-azido-1-phenylpentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-(2-azido-1-phenethyl-propyl)-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(CCC4=CC=CC=C4)C(C)N=[N+]=[N-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCC4=CC=CC=C4)C(C)N=[N+]=[N-]

InChI

InChI=1S/C25H27N7O2/c1-3-15-34-21-12-8-7-11-19(21)23-28-24-22(25(33)29-23)27-16-32(24)20(17(2)30-31-26)14-13-18-9-5-4-6-10-18/h4-12,16-17,20H,3,13-15H2,1-2H3,(H,28,29,33)