(2S)-N-(7H-purin-6-yl)-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-(7H-purin-6-yl)-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-(7H-purin-6-yl)-2-(2-quinolylsulfanyl)propanamide CAS Name: (2S)-N-(7H-purin-6-yl)-2-(2-quinolinylthio)propanamide IUPAC Name: (2S)-N-(7H-purin-6-yl)-2-quinolin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-(7H-purin-6-yl)-2-(2-quinolylthio)propionamide Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C17H14N6OS/c1-10(25-13-7-6-11-4-2-3-5-12(11)22-13)17(24)23-16-14-15(19-8-18-14)20-9-21-16/h2-10H,1H3,(H2,18,19,20,21,23,24)/t10-/m0/s1