4-[2-(7H-purin-6-ylsulfanyl)propanoylamino]benzamide

Systemtic Name: 4-[2-(7H-purin-6-ylsulfanyl)propanoylamino]benzamide Openeye Name: 4-[2-(7H-purin-6-ylsulfanyl)propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-(7H-purin-6-ylthio)propyl]amino]benzamide IUPAC Name: 4-[2-(7H-purin-6-ylsulfanyl)propanoylamino]benzamide Traditional Name: 4-[2-(7H-purin-6-ylthio)propanoylamino]benzamide Formula: C15H14N6O2S MolecularWeight: 342.37566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H14N6O2S/c1-8(24-15-11-13(18-6-17-11)19-7-20-15)14(23)21-10-4-2-9(3-5-10)12(16)22/h2-8H,1H3,(H2,16,22)(H,21,23)(H,17,18,19,20)