(2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(3-chlorophenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12ClN5OS/c1-8(13(21)20-10-4-2-3-9(15)5-10)22-14-11-12(17-6-16-11)18-7-19-14/h2-8H,1H3,(H,20,21)(H,16,17,18,19)/t8-/m0/s1