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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-isopropyl-propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-propan-2-ylpropanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-isopropyl-propionamide Formula: C11H14ClN5OS MolecularWeight: 299.77976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN5OS/c1-6(2)15-7(18)3-4-19-10-8-9(14-5-13-8)16-11(12)17-10/h5-6H,3-4H2,1-2H3,(H,15,18)(H,13,14,16,17)