6-azanyl-2-(3-azidopropoxy)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(3-azidopropoxy)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(3-azidopropoxy)-9-benzyl-7H-purin-8-one CAS Name: 6-amino-2-(3-azidopropoxy)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(3-azidopropoxy)-9-benzyl-7H-purin-8-one Traditional Name: 6-amino-2-(3-azidopropoxy)-9-benzyl-7H-purin-8-one Formula: C15H16N8O2 MolecularWeight: 340.33994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N8O2/c16-12-11-13(21-14(20-12)25-8-4-7-18-22-17)23(15(24)19-11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,19,24)(H2,16,20,21)