2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(7H-purin-6-yl)propanamide

Systemtic Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(7H-purin-6-yl)propanamide Openeye Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(7H-purin-6-yl)propanamide CAS Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(7H-purin-6-yl)propanamide IUPAC Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(7H-purin-6-yl)propanamide Traditional Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(7H-purin-6-yl)propionamide Formula: C13H14N8OS2 MolecularWeight: 362.43326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)SC3=NN=C(S3)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)SC3=NN=C(S3)NC4CC4

InChI

InChI=1S/C13H14N8OS2/c1-6(23-13-21-20-12(24-13)18-7-2-3-7)11(22)19-10-8-9(15-4-14-8)16-5-17-10/h4-7H,2-3H2,1H3,(H,18,20)(H2,14,15,16,17,19,22)