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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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