N-[9-(oxolan-2-yl)-6-(phenylmethylsulfanyl)purin-2-yl]ethanamide

Systemtic Name: N-[9-(oxolan-2-yl)-6-(phenylmethylsulfanyl)purin-2-yl]ethanamide Openeye Name: N-(6-benzylsulfanyl-9-tetrahydrofuran-2-yl-purin-2-yl)acetamide CAS Name: N-[9-(2-oxolanyl)-6-(phenylmethylthio)-2-purinyl]acetamide IUPAC Name: N-[6-benzylsulfanyl-9-(oxolan-2-yl)purin-2-yl]acetamide Traditional Name: N-[6-(benzylthio)-9-(tetrahydrofuryl)purin-2-yl]acetamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4CCCO4

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4CCCO4

InChI

InChI=1S/C18H19N5O2S/c1-12(24)20-18-21-16-15(19-11-23(16)14-8-5-9-25-14)17(22-18)26-10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,20,21,22,24)