N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylthio)acetamide Formula: C17H15ClN6OS MolecularWeight: 386.8586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H15ClN6OS/c18-11-1-2-13-12(5-11)10(6-20-13)3-4-19-14(25)7-26-17-15-16(22-8-21-15)23-9-24-17/h1-2,5-6,8-9,20H,3-4,7H2,(H,19,25)(H,21,22,23,24)