(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(7H-purin-6-yl)propanamide

Systemtic Name: (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(7H-purin-6-yl)propanamide Openeye Name: (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(7H-purin-6-yl)propanamide CAS Name: (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-N-(7H-purin-6-yl)propanamide IUPAC Name: (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(7H-purin-6-yl)propanamide Traditional Name: (2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-N-(7H-purin-6-yl)propionamide Formula: C12H14N8OS MolecularWeight: 318.35756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SC(C)C(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCN1C=NN=C1S[C@H](C)C(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H14N8OS/c1-3-20-6-17-19-12(20)22-7(2)11(21)18-10-8-9(14-4-13-8)15-5-16-10/h4-7H,3H2,1-2H3,(H2,13,14,15,16,18,21)/t7-/m1/s1