(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(2,4-dichlorobenzyl)-2-(7H-purin-6-ylthio)propionamide Formula: C15H13Cl2N5OS MolecularWeight: 382.26762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=C(C=C1)Cl)Cl)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=C(C=C(C=C1)Cl)Cl)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H13Cl2N5OS/c1-8(24-15-12-13(20-6-19-12)21-7-22-15)14(23)18-5-9-2-3-10(16)4-11(9)17/h2-4,6-8H,5H2,1H3,(H,18,23)(H,19,20,21,22)/t8-/m0/s1