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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chloranyl-7H-purin-6-yl)amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chloro-7H-purin-6-yl)amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chloro-7H-purin-6-yl)amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chloro-7H-purin-6-yl)amino]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-piperonyl-propionamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H15ClN6O3/c17-16-22-14(13-15(23-16)21-7-20-13)18-4-3-12(24)19-6-9-1-2-10-11(5-9)26-8-25-10/h1-2,5,7H,3-4,6,8H2,(H,19,24)(H2,18,20,21,22,23)