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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2-pyridylmethyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2-pyridylmethyl)propionamide Formula: C14H13ClN6OS MolecularWeight: 348.81062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H13ClN6OS/c15-14-20-12-11(18-8-19-12)13(21-14)23-6-4-10(22)17-7-9-3-1-2-5-16-9/h1-3,5,8H,4,6-7H2,(H,17,22)(H,18,19,20,21)