N-[9-[(Z)-4-oxidanylbut-2-enyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(Z)-4-oxidanylbut-2-enyl]purin-6-yl]benzamide Openeye Name: N-[9-[(Z)-4-hydroxybut-2-enyl]purin-6-yl]benzamide CAS Name: N-[9-[(Z)-4-hydroxybut-2-enyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(Z)-4-hydroxybut-2-enyl]purin-6-yl]benzamide Traditional Name: N-[9-[(Z)-4-hydroxybut-2-enyl]purin-6-yl]benzamide Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CC=CCO

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/c22-9-5-4-8-21-11-19-13-14(17-10-18-15(13)21)20-16(23)12-6-2-1-3-7-12/h1-7,10-11,22H,8-9H2,(H,17,18,20,23)/b5-4-