3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(1R)-1-methyl-3-phenyl-propyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(2R)-4-phenylbutan-2-yl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(1R)-1-methyl-3-phenyl-propyl]propionamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C18H20ClN5OS/c1-12(7-8-13-5-3-2-4-6-13)22-14(25)9-10-26-17-15-16(21-11-20-15)23-18(19)24-17/h2-6,11-12H,7-10H2,1H3,(H,22,25)(H,20,21,23,24)/t12-/m1/s1