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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloranyl-7H-purin-6-yl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-7H-purin-6-yl)amino]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-piperonyl-acetamide Formula: C15H13ClN6O3 MolecularWeight: 360.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O3/c16-15-21-13(12-14(22-15)20-6-19-12)18-5-11(23)17-4-8-1-2-9-10(3-8)25-7-24-9/h1-3,6H,4-5,7H2,(H,17,23)(H2,18,19,20,21,22)