N-(1,3-benzodioxol-5-yl)-2-chloranyl-7H-purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-chloranyl-7H-purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-2-chloro-7H-purin-6-amine CAS Name: N-(1,3-benzodioxol-5-yl)-2-chloro-7H-purin-6-amine IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-chloro-7H-purin-6-amine Traditional Name: 1,3-benzodioxol-5-yl-(2-chloro-7H-purin-6-yl)amine Formula: C12H8ClN5O2 MolecularWeight: 289.67722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C12H8ClN5O2/c13-12-17-10-9(14-4-15-10)11(18-12)16-6-1-2-7-8(3-6)20-5-19-7/h1-4H,5H2,(H2,14,15,16,17,18)