N-[2,3-bis(chloranyl)phenyl]-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: N-(2,3-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: N-(2,3-dichlorophenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: N-(2,3-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: N-(2,3-dichlorophenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C14H11Cl2N5OS MolecularWeight: 368.24104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H11Cl2N5OS/c1-7(13(22)21-9-4-2-3-8(15)10(9)16)23-14-11-12(18-5-17-11)19-6-20-14/h2-7H,1H3,(H,21,22)(H,17,18,19,20)