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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-cyclopropyl-propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-cyclopropylpropanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-cyclopropylpropanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-cyclopropyl-propionamide Formula: C11H12ClN5OS MolecularWeight: 297.76388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1CC1NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C11H12ClN5OS/c12-11-16-9-8(13-5-14-9)10(17-11)19-4-3-7(18)15-6-1-2-6/h5-6H,1-4H2,(H,15,18)(H,13,14,16,17)