2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C17H18ClN5OS/c1-11(7-8-12-5-3-2-4-6-12)21-13(24)9-25-16-14-15(20-10-19-14)22-17(18)23-16/h2-6,10-11H,7-9H2,1H3,(H,21,24)(H,19,20,22,23)/t11-/m1/s1