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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6OS/c1-8(12(22)17-6-9-3-2-4-16-5-9)23-13-10-11(19-7-18-10)20-14(15)21-13/h2-5,7-8H,6H2,1H3,(H,17,22)(H,18,19,20,21)/t8-/m0/s1