3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C18H17ClN6OS MolecularWeight: 400.88518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H17ClN6OS/c19-18-24-16-15(22-10-23-16)17(25-18)27-8-6-14(26)20-7-5-11-9-21-13-4-2-1-3-12(11)13/h1-4,9-10,21H,5-8H2,(H,20,26)(H,22,23,24,25)