(2S)-N-[(2R)-4-phenylbutan-2-yl]-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-[(2R)-4-phenylbutan-2-yl]-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-[(1R)-1-methyl-3-phenyl-propyl]-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-[(2R)-4-phenylbutan-2-yl]-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2S)-N-[(2R)-4-phenylbutan-2-yl]-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-[(1R)-1-methyl-3-phenyl-propyl]-2-(7H-purin-6-ylthio)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C18H21N5OS/c1-12(8-9-14-6-4-3-5-7-14)23-17(24)13(2)25-18-15-16(20-10-19-15)21-11-22-18/h3-7,10-13H,8-9H2,1-2H3,(H,23,24)(H,19,20,21,22)/t12-,13+/m1/s1