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

Systemtic Name: (2S)-N-[(3-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-[(3-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-[(3-chlorophenyl)methyl]-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-[(3-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(3-chlorobenzyl)-2-(7H-purin-6-ylthio)propionamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)Cl)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=CC=C1)Cl)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H14ClN5OS/c1-9(14(22)17-6-10-3-2-4-11(16)5-10)23-15-12-13(19-7-18-12)20-8-21-15/h2-5,7-9H,6H2,1H3,(H,17,22)(H,18,19,20,21)/t9-/m0/s1