6-azanyl-2-(5-azidopentoxy)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(5-azidopentoxy)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(5-azidopentoxy)-9-benzyl-7H-purin-8-one CAS Name: 6-amino-2-(5-azidopentoxy)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(5-azidopentoxy)-9-benzyl-7H-purin-8-one Traditional Name: 6-amino-2-(5-azidopentoxy)-9-benzyl-7H-purin-8-one Formula: C17H20N8O2 MolecularWeight: 368.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCCCCN=[N+]=[N-])N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCCCCN=[N+]=[N-])N)NC2=O

InChI

InChI=1S/C17H20N8O2/c18-14-13-15(23-16(22-14)27-10-6-2-5-9-20-24-19)25(17(26)21-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,21,26)(H2,18,22,23)