N-(1,3-benzodioxol-5-yl)-2-[(2-chloranyl-7H-purin-6-yl)amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloranyl-7H-purin-6-yl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide Formula: C14H11ClN6O3 MolecularWeight: 346.72854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C14H11ClN6O3/c15-14-20-12(11-13(21-14)18-5-17-11)16-4-10(22)19-7-1-2-8-9(3-7)24-6-23-8/h1-3,5H,4,6H2,(H,19,22)(H2,16,17,18,20,21)