N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[4-(1H-indol-3-yl)thiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[4-(1H-indol-3-yl)-2-thiazolyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[4-(1H-indol-3-yl)thiazol-2-yl]-2-(7H-purin-6-ylthio)acetamide Formula: C18H13N7OS2 MolecularWeight: 407.47212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC(=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC(=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C18H13N7OS2/c26-14(7-27-17-15-16(21-8-20-15)22-9-23-17)25-18-24-13(6-28-18)11-5-19-12-4-2-1-3-10(11)12/h1-6,8-9,19H,7H2,(H,24,25,26)(H,20,21,22,23)