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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(2,2-dimethoxyethyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,2-dimethoxyethyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,2-dimethoxyethyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2,2-dimethoxyethyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2,2-dimethoxyethyl)propionamide Formula: C12H16ClN5O3S MolecularWeight: 345.80514

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl)OC

Isomeric SMILES

COC(CNC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl)OC

InChI

InChI=1S/C12H16ClN5O3S/c1-20-8(21-2)5-14-7(19)3-4-22-11-9-10(16-6-15-9)17-12(13)18-11/h6,8H,3-5H2,1-2H3,(H,14,19)(H,15,16,17,18)