6-azanyl-2-(4-azidobutoxy)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(4-azidobutoxy)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(4-azidobutoxy)-9-benzyl-7H-purin-8-one CAS Name: 6-amino-2-(4-azidobutoxy)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(4-azidobutoxy)-9-benzyl-7H-purin-8-one Traditional Name: 6-amino-2-(4-azidobutoxy)-9-benzyl-7H-purin-8-one Formula: C16H18N8O2 MolecularWeight: 354.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N8O2/c17-13-12-14(22-15(21-13)26-9-5-4-8-19-23-18)24(16(25)20-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,20,25)(H2,17,21,22)