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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(1S)-1-phenylethyl]propionamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H16ClN5OS/c1-10(11-5-3-2-4-6-11)20-12(23)7-8-24-15-13-14(19-9-18-13)21-16(17)22-15/h2-6,9-10H,7-8H2,1H3,(H,20,23)(H,18,19,21,22)/t10-/m0/s1