4-ethylsulfanyl-2-(5H-purin-6-ylamino)butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-(5H-purin-6-ylamino)butanoic acid Openeye Name: 4-ethylsulfanyl-2-(5H-purin-6-ylamino)butanoic acid CAS Name: 4-(ethylthio)-2-(5H-purin-6-ylamino)butanoic acid IUPAC Name: 4-ethylsulfanyl-2-(5H-purin-6-ylamino)butanoic acid Traditional Name: 4-(ethylthio)-2-(5H-purin-6-ylamino)butyric acid Formula: C11H15N5O2S MolecularWeight: 281.3341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC1=NC=NC2=NC=NC21

Isomeric SMILES

CCSCCC(C(=O)O)NC1=NC=NC2=NC=NC21

InChI

InChI=1S/C11H15N5O2S/c1-2-19-4-3-7(11(17)18)16-10-8-9(13-5-12-8)14-6-15-10/h5-8H,2-4H2,1H3,(H,17,18)(H,12,13,14,15,16)