N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-2-(7H-purin-6-ylthio)acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H18N6O2S/c25-14(9-27-18-16-17(21-10-20-16)22-11-23-18)19-8-12-3-5-13(6-4-12)24-7-1-2-15(24)26/h3-6,10-11H,1-2,7-9H2,(H,19,25)(H,20,21,22,23)