(2R)-N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-benzoxyphenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C21H19N5O2S/c1-14(29-21-18-19(23-12-22-18)24-13-25-21)20(27)26-16-7-9-17(10-8-16)28-11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H,26,27)(H,22,23,24,25)/t14-/m1/s1