N-[7-(2-hydroxyethyl)-6-sulfanylidene-3H-purin-2-yl]benzamide

Systemtic Name: N-[7-(2-hydroxyethyl)-6-sulfanylidene-3H-purin-2-yl]benzamide Openeye Name: N-[7-(2-hydroxyethyl)-6-thioxo-3H-purin-2-yl]benzamide CAS Name: N-[7-(2-hydroxyethyl)-6-sulfanylidene-3H-purin-2-yl]benzamide IUPAC Name: N-[7-(2-hydroxyethyl)-6-sulfanylidene-3H-purin-2-yl]benzamide Traditional Name: N-[7-(2-hydroxyethyl)-6-thioxo-3H-purin-2-yl]benzamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCO

InChI

InChI=1S/C14H13N5O2S/c20-7-6-19-8-15-11-10(19)13(22)18-14(16-11)17-12(21)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H2,16,17,18,21,22)