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

Systemtic Name: 6-azanyl-2-(6-azidohexoxy)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(6-azidohexoxy)-9-benzyl-7H-purin-8-one CAS Name: 6-amino-2-(6-azidohexoxy)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(6-azidohexoxy)-9-benzyl-7H-purin-8-one Traditional Name: 6-amino-2-(6-azidohexoxy)-9-benzyl-7H-purin-8-one Formula: C18H22N8O2 MolecularWeight: 382.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N8O2/c19-15-14-16(26(18(27)22-14)12-13-8-4-3-5-9-13)24-17(23-15)28-11-7-2-1-6-10-21-25-20/h3-5,8-9H,1-2,6-7,10-12H2,(H,22,27)(H2,19,23,24)