2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[(1S)-1-phenylethyl]acetamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

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