4-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1,3-benzoxadiazole

Systemtic Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1,3-benzoxadiazole Openeye Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1,3-benzoxadiazole CAS Name: 4-[[(9-butyl-6-purinyl)thio]methyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1,3-benzoxadiazole Traditional Name: 4-[[(9-butylpurin-6-yl)thio]methyl]benzofurazan Formula: C16H16N6OS MolecularWeight: 340.40284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2SCC3=CC=CC4=NON=C43

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2SCC3=CC=CC4=NON=C43

InChI

InChI=1S/C16H16N6OS/c1-2-3-7-22-10-19-14-15(22)17-9-18-16(14)24-8-11-5-4-6-12-13(11)21-23-20-12/h4-6,9-10H,2-3,7-8H2,1H3