N-naphthalen-1-yl-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name: N-naphthalen-1-yl-4-(7H-purin-6-ylsulfanylmethyl)benzamide Openeye Name: N-(1-naphthyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide CAS Name: N-(1-naphthalenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide IUPAC Name: N-naphthalen-1-yl-4-(7H-purin-6-ylsulfanylmethyl)benzamide Traditional Name: N-(1-naphthyl)-4-[(7H-purin-6-ylthio)methyl]benzamide Formula: C23H17N5OS MolecularWeight: 411.47898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H17N5OS/c29-22(28-19-7-3-5-16-4-1-2-6-18(16)19)17-10-8-15(9-11-17)12-30-23-20-21(25-13-24-20)26-14-27-23/h1-11,13-14H,12H2,(H,28,29)(H,24,25,26,27)