9-(2-azido-7-phenyl-heptan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-azido-7-phenyl-heptan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-azidoethyl)-5-phenyl-pentyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-azido-7-phenylheptan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-azido-7-phenylheptan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-azidoethyl)-5-phenyl-pentyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

InChI

InChI=1S/C27H31N7O2/c1-3-17-36-23-16-10-8-14-21(23)25-30-26-24(27(35)31-25)29-18-34(26)22(19(2)32-33-28)15-9-7-13-20-11-5-4-6-12-20/h4-6,8,10-12,14,16,18-19,22H,3,7,9,13,15,17H2,1-2H3,(H,30,31,35)