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

Systemtic Name: (2R)-N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(7H-purin-6-ylthio)propionamide Formula: C18H17ClN6OS MolecularWeight: 400.88518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CNC2=C1C=C(C=C2)Cl)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CNC2=C1C=C(C=C2)Cl)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H17ClN6OS/c1-10(27-18-15-16(23-8-22-15)24-9-25-18)17(26)20-5-4-11-7-21-14-3-2-12(19)6-13(11)14/h2-3,6-10,21H,4-5H2,1H3,(H,20,26)(H,22,23,24,25)/t10-/m1/s1