[2-chloranyl-9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-methoxy-azanide

Systemtic Name: [2-chloranyl-9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-methoxy-azanide Openeye Name: (7-benzyl-2-chloro-9-methyl-purin-9-ium-6-yl)-methoxy-azanide CAS Name: [2-chloro-9-methyl-7-(phenylmethyl)-6-purin-9-iumyl]-methoxyazanide IUPAC Name: (7-benzyl-2-chloro-9-methylpurin-9-ium-6-yl)-methoxyazanide Traditional Name: (7-benzyl-2-chloro-9-methyl-purin-9-ium-6-yl)-methoxy-azanide Formula: C14H14ClN5O MolecularWeight: 303.74686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C(N=C(N=C21)Cl)[N-]OC)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C(N=C(N=C21)Cl)[N-]OC)CC3=CC=CC=C3

InChI

InChI=1S/C14H14ClN5O/c1-19-9-20(8-10-6-4-3-5-7-10)11-12(18-21-2)16-14(15)17-13(11)19/h3-7,9H,8H2,1-2H3