4-[(9-butylpurin-6-yl)sulfanylmethyl]-[1,2]oxazolo[4,5-c]pyridine

Systemtic Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]-[1,2]oxazolo[4,5-c]pyridine Openeye Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]isoxazolo[4,5-c]pyridine CAS Name: 4-[[(9-butyl-6-purinyl)thio]methyl]isoxazolo[4,5-c]pyridine IUPAC Name: 4-[(9-butylpurin-6-yl)sulfanylmethyl]-[1,2]oxazolo[4,5-c]pyridine Traditional Name: 4-[[(9-butylpurin-6-yl)thio]methyl]isoxazolo[4,5-c]pyridine Formula: C16H16N6OS MolecularWeight: 340.40284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2SCC3=NC=CC4=C3C=NO4

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2SCC3=NC=CC4=C3C=NO4

InChI

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