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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2S)-6-methylheptan-2-yl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1S)-1,5-dimethylhexyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(2S)-6-methylheptan-2-yl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(2S)-6-methylheptan-2-yl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(1S)-1,5-dimethylhexyl]propionamide Formula: C16H24ClN5OS MolecularWeight: 369.91266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl

InChI

InChI=1S/C16H24ClN5OS/c1-10(2)5-4-6-11(3)20-12(23)7-8-24-15-13-14(19-9-18-13)21-16(17)22-15/h9-11H,4-8H2,1-3H3,(H,20,23)(H,18,19,21,22)/t11-/m0/s1