9-(2-azido-8-phenyl-octan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-azido-8-phenyl-octan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-azidoethyl)-6-phenyl-hexyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-azido-8-phenyloctan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-azido-8-phenyloctan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-azidoethyl)-6-phenyl-hexyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C28H33N7O2 MolecularWeight: 499.60732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

InChI

InChI=1S/C28H33N7O2/c1-3-18-37-24-17-11-10-15-22(24)26-31-27-25(28(36)32-26)30-19-35(27)23(20(2)33-34-29)16-9-5-8-14-21-12-6-4-7-13-21/h4,6-7,10-13,15,17,19-20,23H,3,5,8-9,14,16,18H2,1-2H3,(H,31,32,36)