N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-propylsulfanyl-purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-propylsulfanyl-purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-propylsulfanyl-purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(propylthio)-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-propylsulfanylpurin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-(propylthio)purin-6-yl]benzamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1C3CC(C(O3)CO)O)N=CN=C2NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CN=C2NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O4S/c1-2-8-30-20-23-16-17(24-19(28)12-6-4-3-5-7-12)21-11-22-18(16)25(20)15-9-13(27)14(10-26)29-15/h3-7,11,13-15,26-27H,2,8-10H2,1H3,(H,21,22,24,28)/t13-,14+,15+/m0/s1