N-[9-[1,4-bis(oxidanyl)butan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[1,4-bis(oxidanyl)butan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[3-hydroxy-1-(hydroxymethyl)propyl]purin-6-yl]benzamide CAS Name: N-[9-(1,4-dihydroxybutan-2-yl)-6-purinyl]benzamide IUPAC Name: N-[9-(1,4-dihydroxybutan-2-yl)purin-6-yl]benzamide Traditional Name: N-[9-(3-hydroxy-1-methylol-propyl)purin-6-yl]benzamide Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CCO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CCO)CO

InChI

InChI=1S/C16H17N5O3/c22-7-6-12(8-23)21-10-19-13-14(17-9-18-15(13)21)20-16(24)11-4-2-1-3-5-11/h1-5,9-10,12,22-23H,6-8H2,(H,17,18,20,24)