(2S)-N-(7H-purin-6-yl)-2-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-(7H-purin-6-yl)-2-pyridin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-(7H-purin-6-yl)-2-(2-pyridylsulfanyl)propanamide CAS Name: (2S)-N-(7H-purin-6-yl)-2-(2-pyridinylthio)propanamide IUPAC Name: (2S)-N-(7H-purin-6-yl)-2-pyridin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-(7H-purin-6-yl)-2-(2-pyridylthio)propionamide Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)SC3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)SC3=CC=CC=N3

InChI

InChI=1S/C13H12N6OS/c1-8(21-9-4-2-3-5-14-9)13(20)19-12-10-11(16-6-15-10)17-7-18-12/h2-8H,1H3,(H2,15,16,17,18,19,20)/t8-/m0/s1