N-(1,3-benzodioxol-5-ylmethyl)-2-iodanyl-9-propan-2-yl-purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-iodanyl-9-propan-2-yl-purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-iodo-9-isopropyl-purin-6-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-iodo-9-propan-2-yl-6-purinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-iodo-9-propan-2-ylpurin-6-amine Traditional Name: (2-iodo-9-isopropyl-purin-6-yl)-piperonyl-amine Formula: C16H16IN5O2 MolecularWeight: 437.23501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC4=C(C=C3)OCO4)I

InChI

InChI=1S/C16H16IN5O2/c1-9(2)22-7-19-13-14(20-16(17)21-15(13)22)18-6-10-3-4-11-12(5-10)24-8-23-11/h3-5,7,9H,6,8H2,1-2H3,(H,18,20,21)